1-cyclopropyl-3-phenylpiperazine

• ChemBase ID: 116950
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: N1(C2CC2)CC(NCC1)c1ccccc1
• Canonical SMILES: C1NC(CN(C1)C1CC1)c1ccccc1
• InChI: InChI=1S/C13H18N2/c1-2-4-11(5-3-1)13-10-15(9-8-14-13)12-6-7-12/h1-5,12-14H,6-10H2
• InChIKey: NKJDZNKWCJHXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-3-phenylpiperazine
• IUPAC Traditional name: 1-cyclopropyl-3-phenylpiperazine
• Synonyms: 1-cyclopropyl-3-phenylpiperazine

Database IDs

• MDL Number: MFCD21091950
• PubChem SID: 162101766
• PubChem CID: 52992060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2280363
• LogD (pH = 7.4): 0.3905304
• Log P: 1.9040458
• Molar Refractivity: 62.2375 cm^3
• Polarizability: 24.856655 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.986

Product Information

• Purity: 95+%