1-(1-phenylcyclopropyl)piperazine

• ChemBase ID: 287937
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: N1(C2(c3ccccc3)CC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)C1(CC1)c1ccccc1
• InChI: InChI=1S/C13H18N2/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15/h1-5,14H,6-11H2
• InChIKey: WIFPWYFVWPLROU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-phenylcyclopropyl)piperazine
• IUPAC Traditional name: 1-(1-phenylcyclopropyl)piperazine
• Synonyms: 1-(1-Phenylcyclopropyl)piperazine

Database IDs

• CAS Number: 1245647-91-9
• MDL Number: MFCD14706744
• PubChem SID: 180673468
• PubChem CID: 53350310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5505291
• LogD (pH = 7.4): -0.19260252
• Log P: 1.7680475
• Molar Refractivity: 62.4569 cm^3
• Polarizability: 24.85631 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%