(1-cyclohexylpiperidin-4-yl)methanamine

• ChemBase ID: 15749
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1C(CCN(C1)C1CCCCC1)CN
• Canonical SMILES: NCC1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C12H24N2/c13-10-11-6-8-14(9-7-11)12-4-2-1-3-5-12/h11-12H,1-10,13H2
• InChIKey: ASZYPKIPAOTWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-cyclohexylpiperidin-4-yl)methanamine
• Synonyms: 1-(1-cyclohexyl-4-piperidinyl)methanamine; [(1-Cyclohexylpiperidin-4-yl)methyl]amine

Database IDs

• CAS Number: 132740-53-5
• MDL Number: MFCD06800483
• PubChem SID: 160979056
• PubChem CID: 23004732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.824449
• LogD (pH = 7.4): -3.6191278
• Log P: 1.6612185
• Molar Refractivity: 61.2021 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false