N,N-dimethyl-3-(piperazin-1-yl)propanamide

• ChemBase ID: 238498
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: C(=O)(CCN1CCNCC1)N(C)C
• Canonical SMILES: CN(C(=O)CCN1CCNCC1)C
• InChI: InChI=1S/C9H19N3O/c1-11(2)9(13)3-6-12-7-4-10-5-8-12/h10H,3-8H2,1-2H3
• InChIKey: WCBSMXUFQKZOKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(piperazin-1-yl)propanamide
• IUPAC Traditional name: N,N-dimethyl-3-(piperazin-1-yl)propanamide
• Synonyms: N,N-dimethyl-3-(piperazin-1-yl)propanamide

Database IDs

• MDL Number: MFCD09996861
• PubChem SID: 164294408
• PubChem CID: 28284397

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3067427
• LogD (pH = 7.4): -2.9504256
• Log P: -0.99035335
• Molar Refractivity: 53.1431 cm^3
• Polarizability: 20.839008 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.494

Product Information

• Purity: 95%