3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
TL;DR: 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) (CAS 100311-28-2) is a chemical compound with molecular formula C19H31ClN2O2 and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride
Also Known As: p-Butylaminobenzoic acid 3-piperidinopropyl ester hydrochloride, 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride, BENZOIC ACID, p-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER, MONOHYDROCHLORIDE, 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1), RefChem:1067218
| Molecular Formula | C19H31ClN2O2 |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.2074 |
| Heavy Atoms | 24 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 100311-28-2 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | YUAJJCQDIYIWRE-UHFFFAOYSA-N |
Product Overview
3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) (CAS 100311-28-2), with molecular formula C19H31ClN2O2 and molecular weight 354.21 g/mol. IUPAC: 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride.
Chemical Property Profile of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
Property Insights of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)
The XLogP value of -0.48 indicates that 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is 100311-28-2.
What is the molecular formula of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is C19H31ClN2O2.
What is the molecular weight of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) is 354.21 g/mol.
Where can I buy 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Piperidin-1-yl)propyl 4-(butylamino)benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.