1-[(1r,4r)-4-aminocyclohexyl]piperidin-4-ol hydrochloride

• ChemBase ID: 62521
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: N1([C@H]2CC[C@H](N)CC2)CCC(CC1)O.Cl
• Canonical SMILES: N[C@@H]1CC[C@H](CC1)N1CCC(CC1)O.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13;/h9-11,14H,1-8,12H2;1H/t9-,10-
• InChIKey: VSWYFXYVHTUOFZ-AWLKUTLJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1r,4r)-4-aminocyclohexyl]piperidin-4-ol hydrochloride
• IUPAC Traditional name: 1-[(1r,4r)-4-aminocyclohexyl]piperidin-4-ol hydrochloride
• Synonyms: 1-(4-Amino-cyclohexyl)-piperidin-4-ol hydrochloride

Database IDs

• MDL Number: MFCD16621910
• PubChem SID: 162028260
• PubChem CID: 71298745

CALCULATED PROPERTIES

• Acid pKa: 15.179271
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.6699657
• LogD (pH = 7.4): -5.4411745
• Log P: -0.18610074
• Molar Refractivity: 58.0536 cm^3
• Polarizability: 23.206133 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false