1-(2-phenylethyl)piperidin-4-amine hydrochloride

• ChemBase ID: 804067
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: Cl.NC1CCN(CC1)CCc1ccccc1
• Canonical SMILES: NC1CCN(CC1)CCc1ccccc1.Cl
• InChI: InChI=1S/C13H20N2.ClH/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12;/h1-5,13H,6-11,14H2;1H
• InChIKey: LTHSVKBFWOSWKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(2-phenylethyl)piperidin-4-amine hydrochloride
• Synonyms: 1-PHENETHYL-PIPERIDIN-4-YLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 127285-07-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.306145
• LogD (pH = 7.4): -2.2273986
• Log P: 1.4144816
• Molar Refractivity: 64.7375 cm^3
• Polarizability: 25.522182 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%