3-(2-methylpropyl)piperidine hydrochloride

• ChemBase ID: 237986
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: N1CC(CC(C)C)CCC1.Cl
• Canonical SMILES: CC(CC1CCCNC1)C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-8(2)6-9-4-3-5-10-7-9;/h8-10H,3-7H2,1-2H3;1H
• InChIKey: AKDLRDKTNUZNQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-methylpropyl)piperidine hydrochloride
• Synonyms: 3-(2-methylpropyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22375319
• PubChem SID: 164293896
• PubChem CID: 66869598

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0357594
• LogD (pH = 7.4): -0.66146684
• Log P: 2.198617
• Molar Refractivity: 45.0576 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 2.911

Product Information

• Purity: 95%