3-propylpiperidine hydrochloride

• ChemBase ID: 237489
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N1CC(CCC)CCC1.Cl
• Canonical SMILES: CCCC1CCCNC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-2-4-8-5-3-6-9-7-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: JVSYZZXLFAPVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propylpiperidine hydrochloride
• IUPAC Traditional name: piperidine, 3-propyl-, hydrochloride
• Synonyms: 3-propylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD22369964
• PubChem SID: 164293399
• PubChem CID: 69039931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3227857
• LogD (pH = 7.4): -0.948727
• Log P: 1.9115978
• Molar Refractivity: 40.509 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 2.512

Product Information

• Purity: 95%