1-[(4-aminopiperidin-1-yl)methyl]cyclohexan-1-ol dihydrochloride

• ChemBase ID: 244332
• Molecular Formular: C12H26Cl2N2O
• Molecular Mass: 285.25364
• Monoisotopic Mass: 284.14221882
• SMILES: N1(CC2(O)CCCCC2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC1(O)CCCCC1.Cl.Cl
• InChI: InChI=1S/C12H24N2O.2ClH/c13-11-4-8-14(9-5-11)10-12(15)6-2-1-3-7-12;;/h11,15H,1-10,13H2;2*1H
• InChIKey: RJOLMGMODLFUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-aminopiperidin-1-yl)methyl]cyclohexan-1-ol dihydrochloride
• IUPAC Traditional name: 1-[(4-aminopiperidin-1-yl)methyl]cyclohexan-1-ol dihydrochloride
• Synonyms: 1-[(4-aminopiperidin-1-yl)methyl]cyclohexan-1-ol dihydrochloride

Database IDs

• MDL Number: MFCD22628505
• PubChem SID: 164300242
• PubChem CID: 71757480

CALCULATED PROPERTIES

• Acid pKa: 14.413292
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.6076074
• LogD (pH = 7.4): -3.611684
• Log P: 0.4342845
• Molar Refractivity: 62.566 cm^3
• Polarizability: 25.049826 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.709

Product Information

• Purity: 95%