N-cyclohexyl-N-methylpiperidin-4-amine hydrochloride

• ChemBase ID: 62527
• Molecular Formular: C12H25ClN2
• Molecular Mass: 232.7933
• Monoisotopic Mass: 232.17062649
• SMILES: N(C1CCNCC1)(C1CCCCC1)C.Cl
• Canonical SMILES: CN(C1CCNCC1)C1CCCCC1.Cl
• InChI: InChI=1S/C12H24N2.ClH/c1-14(11-5-3-2-4-6-11)12-7-9-13-10-8-12;/h11-13H,2-10H2,1H3;1H
• InChIKey: NPXOLJIQXDGLLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: N-cyclohexyl-N-methylpiperidin-4-amine hydrochloride
• Synonyms: Cyclohexyl-methyl-piperidin-4-yl-amine hydrochloride

Database IDs

• MDL Number: MFCD16621900
• PubChem SID: 162028266
• PubChem CID: 71298746

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3868065
• LogD (pH = 7.4): -2.4705532
• Log P: 1.6331981
• Molar Refractivity: 61.1587 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false