1-(4-aminocyclohexyl)piperidin-2-one hydrochloride

• ChemBase ID: 246633
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: N1(C(=O)CCCC1)C1CCC(N)CC1.Cl
• Canonical SMILES: NC1CCC(CC1)N1CCCCC1=O.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14;/h9-10H,1-8,12H2;1H
• InChIKey: RNNGSAYAAITQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminocyclohexyl)piperidin-2-one hydrochloride
• IUPAC Traditional name: 1-(4-aminocyclohexyl)piperidin-2-one hydrochloride
• Synonyms: 1-(4-aminocyclohexyl)piperidin-2-one hydrochloride

Database IDs

• PubChem SID: 164302543
• PubChem CID: 71758036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6284876
• LogD (pH = 7.4): -2.1752102
• Log P: 0.39430565
• Molar Refractivity: 56.0968 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.116

Product Information

• Purity: 95%