4-(4-methylpiperidin-1-yl)cyclohexan-1-amine

• ChemBase ID: 242440
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(C2CCC(N)CC2)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)C1CCC(CC1)N
• InChI: InChI=1S/C12H24N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h10-12H,2-9,13H2,1H3
• InChIKey: UHPKEUWJTYUINL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperidin-1-yl)cyclohexan-1-amine
• IUPAC Traditional name: 4-(4-methylpiperidin-1-yl)cyclohexan-1-amine
• Synonyms: 4-(4-methylpiperidin-1-yl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD17220720
• PubChem SID: 164298350
• PubChem CID: 62807252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.862268
• LogD (pH = 7.4): -3.792304
• Log P: 1.6332248
• Molar Refractivity: 61.0199 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): 1.684

Product Information

• Purity: 95%