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

• ChemBase ID: 235403
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CCC(N)CC2)CCCCC1
• Canonical SMILES: NC1CCC(CC1)N1CCCCC1
• InChI: InChI=1S/C11H22N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h10-11H,1-9,12H2
• InChIKey: CFRUILQUHZWJIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17220731
• PubChem SID: 164291313
• PubChem CID: 22562154

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.141232
• LogD (pH = 7.4): -3.987502
• Log P: 1.3462058
• Molar Refractivity: 56.4713 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.335

Product Information

• Purity: 95%