2-(piperidin-1-yl)cyclohexan-1-one hydrochloride

• ChemBase ID: 286609
• Molecular Formular: C11H20ClNO
• Molecular Mass: 217.7356
• Monoisotopic Mass: 217.12334195
• SMILES: N1(C2C(=O)CCCC2)CCCCC1.Cl
• Canonical SMILES: O=C1CCCCC1N1CCCCC1.Cl
• InChI: InChI=1S/C11H19NO.ClH/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;/h10H,1-9H2;1H
• InChIKey: UHXUDNGJIZOHID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)cyclohexan-1-one hydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)cyclohexan-1-one hydrochloride
• Synonyms: 2-(piperidin-1-yl)cyclohexan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22056504
• PubChem SID: 180672140
• PubChem CID: 3014571

CALCULATED PROPERTIES

• Acid pKa: 19.212185
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.68615824
• LogD (pH = 7.4): 1.0676911
• Log P: 2.176241
• Molar Refractivity: 53.6084 cm^3
• Polarizability: 21.132408 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 2.126

Product Information

• Purity: 95%