1-(2-chlorophenyl)piperidin-3-amine

• ChemBase ID: 279073
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: N1(c2c(Cl)cccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1ccccc1Cl
• InChI: InChI=1S/C11H15ClN2/c12-10-5-1-2-6-11(10)14-7-3-4-9(13)8-14/h1-2,5-6,9H,3-4,7-8,13H2
• InChIKey: DGFJEBDWXHVROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(2-chlorophenyl)piperidin-3-amine
• Synonyms: 1-(2-chlorophenyl)piperidin-3-amine

Database IDs

• MDL Number: MFCD16074671
• PubChem SID: 164334983
• PubChem CID: 54595124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.65952265
• LogD (pH = 7.4): -0.009889993
• Log P: 2.353915
• Molar Refractivity: 60.4524 cm^3
• Polarizability: 23.337358 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.608

Product Information

• Purity: 95%