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

• ChemBase ID: 240213
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2C(O)CCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C1CCCC1O
• InChI: InChI=1S/C10H20N2O/c11-8-4-6-12(7-5-8)9-2-1-3-10(9)13/h8-10,13H,1-7,11H2
• InChIKey: KSEWRJQNDCCSEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12801736
• PubChem SID: 164296123
• PubChem CID: 60884596

CALCULATED PROPERTIES

• Acid pKa: 14.596846
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.340077
• LogD (pH = 7.4): -4.3340526
• Log P: -0.31885448
• Molar Refractivity: 53.1446 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.559

Product Information

• Purity: 95%