N-(2-chlorophenyl)piperidin-4-amine

• ChemBase ID: 267021
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: N(c1c(Cl)cccc1)C1CCNCC1
• Canonical SMILES: Clc1ccccc1NC1CCNCC1
• InChI: InChI=1S/C11H15ClN2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2
• InChIKey: ZXIZRGRPNLWFEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)piperidin-4-amine
• IUPAC Traditional name: N-(2-chlorophenyl)piperidin-4-amine
• Synonyms: N-(2-chlorophenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD06740675
• PubChem SID: 164322931
• PubChem CID: 4778206

CALCULATED PROPERTIES

• Acid pKa: 18.47894
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5241894
• LogD (pH = 7.4): -0.8016797
• Log P: 1.6938268
• Molar Refractivity: 61.213 cm^3
• Polarizability: 23.337593 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.268

Product Information

• Purity: 95%