N-[2-(piperazin-1-yl)ethyl]cyclopropanecarboxamide

• ChemBase ID: 117735
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C1(C(=O)NCCN2CCNCC2)CC1
• Canonical SMILES: O=C(C1CC1)NCCN1CCNCC1
• InChI: InChI=1S/C10H19N3O/c14-10(9-1-2-9)12-5-8-13-6-3-11-4-7-13/h9,11H,1-8H2,(H,12,14)
• InChIKey: IIRBLMGCFSEUGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperazin-1-yl)ethyl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[2-(piperazin-1-yl)ethyl]cyclopropanecarboxamide
• Synonyms: N-(2-piperazin-1-ylethyl)cyclopropanecarboxamide dihydrochloride

Database IDs

• PubChem SID: 162107189
• PubChem CID: 28273848

CALCULATED PROPERTIES

• Acid pKa: 16.05089
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6763513
• LogD (pH = 7.4): -2.358873
• Log P: -0.54409987
• Molar Refractivity: 55.5363 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

• Partition Coefficient: -0.972

Product Information

• Purity: 95+%
• Salt Data: 2 HCl