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

• ChemBase ID: 89078
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CCc2ccccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C13H20N2/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
• InChIKey: BCEKLYJIVXGPLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-phenylethyl)piperidin-4-amine
• Synonyms: N-(2-Phenethyl)-4-aminopiperidine; 1-(2-phenylethyl)-4-piperidinamine; 1-(2-phenylethyl)piperidin-4-amine; 1-PHENETHYL-PIPERIDIN-4-YLAMINE

Database IDs

• CAS Number: 51448-56-7
• MDL Number: MFCD03411613
• PubChem SID: 162075964
• PubChem CID: 10728788

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

Physical Property

• Hydrophobicity(logP): 1.321

Product Information

• Purity: 95%; 98%