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

• ChemBase ID: 17379
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1(N2CCCCC2)(CCCCC1)CN
• Canonical SMILES: NCC1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C12H24N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-11,13H2
• InChIKey: OHGRMGNDTSKKJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(piperidin-1-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(piperidin-1-yl)cyclohexyl]methanamine
• Synonyms: C-(1-Piperidin-1-yl-cyclohexyl)-methylamine; 1-(1-piperidin-1-ylcyclohexyl)methanamine; (1-piperidin-1-ylcyclohexyl)methylamine; (1-(Piperidin-1-yl)cyclohexyl)methanamine

Database IDs

• CAS Number: 41805-36-1
• MDL Number: MFCD05201339
• PubChem SID: 160980686
• PubChem CID: 398402

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

Physical Property

• Partition Coefficient: 2.27
• Hydrophobicity(logP): 2.814

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%