1-cyclohexylpiperidin-4-amine dihydrochloride

• ChemBase ID: 804999
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: Cl.Cl.NC1CCN(CC1)C1CCCCC1
• Canonical SMILES: NC1CCN(CC1)C1CCCCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c12-10-6-8-13(9-7-10)11-4-2-1-3-5-11;;/h10-11H,1-9,12H2;2*1H
• InChIKey: IOISHUVLRSUMKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-cyclohexylpiperidin-4-amine dihydrochloride
• Synonyms: 1-CYCLOHEXYL-PIPERIDIN-4-YLAMINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 1196154-81-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.667779
• LogD (pH = 7.4): -2.7127616
• Log P: 1.2006178
• Molar Refractivity: 56.3841 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%