1-propylpiperazin-2-one

• ChemBase ID: 307109
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CNCC1)CCC
• Canonical SMILES: CCCN1CCNCC1=O
• InChI: InChI=1S/C7H14N2O/c1-2-4-9-5-3-8-6-7(9)10/h8H,2-6H2,1H3
• InChIKey: TUJPZNOIDMQOSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylpiperazin-2-one
• IUPAC Traditional name: 1-propylpiperazin-2-one
• Synonyms: 1-propyl-2-piperazinone

Database IDs

• CAS Number: 65464-10-0
• MDL Number: MFCD14707896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9223733
• LogD (pH = 7.4): -0.52770835
• Log P: -0.36668023
• Molar Refractivity: 39.6972 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2