3-benzyl-1-cyclopropylpiperazine

• ChemBase ID: 116959
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: N1(C2CC2)CC(NCC1)Cc1ccccc1
• Canonical SMILES: C1NC(CN(C1)C1CC1)Cc1ccccc1
• InChI: InChI=1S/C14H20N2/c1-2-4-12(5-3-1)10-13-11-16(9-8-15-13)14-6-7-14/h1-5,13-15H,6-11H2
• InChIKey: BSRABLAVRKDCRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-cyclopropylpiperazine
• IUPAC Traditional name: 3-benzyl-1-cyclopropylpiperazine
• Synonyms: 3-benzyl-1-cyclopropylpiperazine

Database IDs

• MDL Number: MFCD21091955
• PubChem SID: 162102630
• PubChem CID: 52992061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1085677
• LogD (pH = 7.4): 0.34697768
• Log P: 2.192707
• Molar Refractivity: 66.9925 cm^3
• Polarizability: 26.626148 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.074

Product Information

• Purity: 95+%