N-cyclopropyl-3-(piperazin-1-yl)propanamide dihydrochloride

• ChemBase ID: 273921
• Molecular Formular: C10H21Cl2N3O
• Molecular Mass: 270.19924
• Monoisotopic Mass: 269.10616767
• SMILES: C(=O)(CCN1CCNCC1)NC1CC1.Cl.Cl
• Canonical SMILES: O=C(NC1CC1)CCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H19N3O.2ClH/c14-10(12-9-1-2-9)3-6-13-7-4-11-5-8-13;;/h9,11H,1-8H2,(H,12,14);2*1H
• InChIKey: HALWWZLPDQQTRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(piperazin-1-yl)propanamide dihydrochloride
• IUPAC Traditional name: N-cyclopropyl-3-(piperazin-1-yl)propanamide dihydrochloride
• Synonyms: N-cyclopropyl-3-(piperazin-1-yl)propanamide dihydrochloride

Database IDs

• MDL Number: MFCD18785574
• PubChem SID: 164329831
• PubChem CID: 53560072

CALCULATED PROPERTIES

• Acid pKa: 16.01387
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.002771
• LogD (pH = 7.4): -2.653108
• Log P: -0.7484649
• Molar Refractivity: 55.4576 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.297

Product Information

• Purity: 95%