1-(cyclopentylmethyl)piperazin-2-one

• ChemBase ID: 242941
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)CNCC1)CC1CCCC1
• Canonical SMILES: O=C1CNCCN1CC1CCCC1
• InChI: InChI=1S/C10H18N2O/c13-10-7-11-5-6-12(10)8-9-3-1-2-4-9/h9,11H,1-8H2
• InChIKey: GLBXLVVZYRKBEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)piperazin-2-one
• IUPAC Traditional name: 1-(cyclopentylmethyl)piperazin-2-one
• Synonyms: 1-(cyclopentylmethyl)piperazin-2-one

Database IDs

• MDL Number: MFCD16732596
• PubChem SID: 164298851
• PubChem CID: 62310406

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1319741
• LogD (pH = 7.4): 0.26268074
• Log P: 0.42370403
• Molar Refractivity: 51.5686 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%