2-(4-cyclopropanecarbonylpiperazin-1-yl)ethan-1-amine

• ChemBase ID: 117721
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C(=O)(N1CCN(CC1)CCN)C1CC1
• Canonical SMILES: NCCN1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C10H19N3O/c11-3-4-12-5-7-13(8-6-12)10(14)9-1-2-9/h9H,1-8,11H2
• InChIKey: ARKXJNJRBVQECW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclopropanecarbonylpiperazin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-cyclopropanecarbonylpiperazin-1-yl)ethanamine
• Synonyms: {2-[4-(cyclopropylcarbonyl)piperazin-1-yl]ethyl}amine

Database IDs

• MDL Number: MFCD10015949
• PubChem SID: 162089912
• PubChem CID: 28705728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.805782
• LogD (pH = 7.4): -2.6943762
• Log P: -0.7530042
• Molar Refractivity: 55.6584 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.3

Product Information

• Purity: 95+%