2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

• ChemBase ID: 236551
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: C(=O)(N1CCCC1)C(N1CCNCC1)C
• Canonical SMILES: O=C(C(N1CCNCC1)C)N1CCCC1
• InChI: InChI=1S/C11H21N3O/c1-10(13-8-4-12-5-9-13)11(15)14-6-2-3-7-14/h10,12H,2-9H2,1H3
• InChIKey: HAOIQARFNNZHFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
• IUPAC Traditional name: 2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
• Synonyms: 2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)propan-1-one

Database IDs

• MDL Number: MFCD10011187
• PubChem SID: 164292461
• PubChem CID: 43089571

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2973192
• LogD (pH = 7.4): -1.7924137
• Log P: -0.25280437
• Molar Refractivity: 60.4786 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.126

Product Information

• Purity: 95%