1-(1-methylcyclohexyl)piperidin-4-amine

• ChemBase ID: 240959
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(C2(C)CCCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C1(C)CCCCC1
• InChI: InChI=1S/C12H24N2/c1-12(7-3-2-4-8-12)14-9-5-11(13)6-10-14/h11H,2-10,13H2,1H3
• InChIKey: FMKMPJLVCIROGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylcyclohexyl)piperidin-4-amine
• IUPAC Traditional name: 1-(1-methylcyclohexyl)piperidin-4-amine
• Synonyms: 1-(1-methylcyclohexyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD16127963
• PubChem SID: 164296869
• PubChem CID: 59850195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5033417
• LogD (pH = 7.4): -2.6276057
• Log P: 1.4811945
• Molar Refractivity: 61.0223 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.854

Product Information

• Purity: 95%