1-cyclopentylpiperazin-2-one hydrochloride

• ChemBase ID: 31153
• Molecular Formular: C9H17ClN2O
• Molecular Mass: 204.69708
• Monoisotopic Mass: 204.10294085
• SMILES: N1(C(=O)CNCC1)C1CCCC1.Cl
• Canonical SMILES: O=C1CNCCN1C1CCCC1.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c12-9-7-10-5-6-11(9)8-3-1-2-4-8;/h8,10H,1-7H2;1H
• InChIKey: LRCZUYWNKQREEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpiperazin-2-one hydrochloride
• IUPAC Traditional name: 1-cyclopentylpiperazin-2-one hydrochloride
• Synonyms: 1-Cyclopentyl-piperazin-2-one hydrochloride

Database IDs

• MDL Number: MFCD11506546
• PubChem SID: 160994460
• PubChem CID: 46736482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4460995
• LogD (pH = 7.4): -0.05204374
• Log P: 0.108691275
• Molar Refractivity: 46.8378 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false