2-(4-aminopiperidin-1-yl)cyclohexan-1-ol

• ChemBase ID: 240392
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(C2C(O)CCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C1CCCCC1O
• InChI: InChI=1S/C11H22N2O/c12-9-5-7-13(8-6-9)10-3-1-2-4-11(10)14/h9-11,14H,1-8,12H2
• InChIKey: RZZMYIRPKVMLDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
• Synonyms: 2-(4-aminopiperidin-1-yl)cyclohexan-1-ol

Database IDs

• MDL Number: MFCD12801859
• PubChem SID: 164296302
• PubChem CID: 60884616

CALCULATED PROPERTIES

• Acid pKa: 14.597029
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.984599
• LogD (pH = 7.4): -4.029606
• Log P: 0.12571418
• Molar Refractivity: 57.7456 cm^3
• Polarizability: 23.206133 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0

Product Information

• Purity: 95%