2-(propan-2-yl)piperidine hydrochloride

• ChemBase ID: 276412
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N1C(C(C)C)CCCC1.Cl
• Canonical SMILES: CC(C1CCCCN1)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7(2)8-5-3-4-6-9-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: DTAPVBLJPGKPNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)piperidine hydrochloride
• IUPAC Traditional name: 2-isopropylpiperidine hydrochloride
• Synonyms: 2-(propan-2-yl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD07357628
• PubChem SID: 164332322
• PubChem CID: 17389644

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2759422
• LogD (pH = 7.4): -1.0177995
• Log P: 1.9615579
• Molar Refractivity: 40.2498 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): 2.382

Product Information

• Purity: 95%