1-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-2-amine

• ChemBase ID: 247202
• Molecular Formular: C14H22ClN3
• Molecular Mass: 267.79758
• Monoisotopic Mass: 267.1502254
• SMILES: N1(c2ccc(cc2)Cl)CCN(CC(N)(C)C)CC1
• Canonical SMILES: CC(CN1CCN(CC1)c1ccc(cc1)Cl)(N)C
• InChI: InChI=1S/C14H22ClN3/c1-14(2,16)11-17-7-9-18(10-8-17)13-5-3-12(15)4-6-13/h3-6H,7-11,16H2,1-2H3
• InChIKey: JLZRCEKHCFNXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
• IUPAC Traditional name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-2-amine
• Synonyms: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-2-amine

Database IDs

• MDL Number: MFCD13327248
• PubChem SID: 164303112
• PubChem CID: 61265080

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4520342
• LogD (pH = 7.4): 0.042770877
• Log P: 2.4326217
• Molar Refractivity: 78.3483 cm^3
• Polarizability: 30.376507 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.253

Product Information

• Purity: 95%