[1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride

• ChemBase ID: 288738
• Molecular Formular: C12H25ClN2
• Molecular Mass: 232.7933
• Monoisotopic Mass: 232.17062649
• SMILES: NCC1(N2CCCCC2)CCCCC1.Cl
• Canonical SMILES: NCC1(CCCCC1)N1CCCCC1.Cl
• InChI: InChI=1S/C12H24N2.ClH/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14;/h1-11,13H2;1H
• InChIKey: HCURZNZLQLLWPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride
• Synonyms: (1-(Piperidin-1-yl)cyclohexyl)methanamine hydrochloride

Database IDs

• CAS Number: 1228878-93-0
• PubChem SID: 180674269
• PubChem CID: 66570693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0887222
• LogD (pH = 7.4): -1.1203057
• Log P: 1.966591
• Molar Refractivity: 60.9837 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%