N-phenylpiperidin-4-amine hydrochloride

• ChemBase ID: 260958
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: N1CCC(Nc2ccccc2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)Nc1ccccc1.Cl
• InChI: InChI=1S/C11H16N2.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-13H,6-9H2;1H
• InChIKey: KYEQTUIXZSWQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: N-phenylpiperidin-4-amine hydrochloride
• Synonyms: N-phenylpiperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD12912780
• PubChem SID: 164316868
• PubChem CID: 45791674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1336637
• LogD (pH = 7.4): -1.4057938
• Log P: 1.0897821
• Molar Refractivity: 56.4082 cm^3
• Polarizability: 21.50607 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.253

Product Information

• Purity: 95%