2-(piperazin-1-yl)cyclopentan-1-ol

• ChemBase ID: 270256
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(C2C(O)CCC2)CCNCC1
• Canonical SMILES: OC1CCCC1N1CCNCC1
• InChI: InChI=1S/C9H18N2O/c12-9-3-1-2-8(9)11-6-4-10-5-7-11/h8-10,12H,1-7H2
• InChIKey: YFZKFNUJXUUPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12801735
• PubChem SID: 164326166
• PubChem CID: 50990648

CALCULATED PROPERTIES

• Acid pKa: 14.596501
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5718646
• LogD (pH = 7.4): -2.2568157
• Log P: -0.06596063
• Molar Refractivity: 48.5182 cm^3
• Polarizability: 19.520456 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.06

Product Information

• Purity: 95%