N-(2H5)phenyl-1-(2-phenylethyl)piperidin-4-amine

• ChemBase ID: 176613
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: C1CN(CCC1Nc1ccccc1)CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCN1CCC(CC1)Nc1ccccc1
• InChI: InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
• InChIKey: ZCMDXDQUYIWEKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(^2H₅)phenyl-1-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: N-(^2H₅)phenyl-1-(2-phenylethyl)piperidin-4-amine
• Synonyms: N-[1-(2-Phenylethyl)-4-piperidinyl]aniline-d5; N-Phenyl-1-(2-phenylethyl)-4-piperidinamine-d5; Depropionylfentanyl-d5; N-Phenyl-d5-N'-[1-(2-phenylethyl)]-4-piperidine

Database IDs

• CAS Number: 1189466-15-6
• PubChem SID: 164232523
• PubChem CID: 45040238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21040198
• LogD (pH = 7.4): 1.7266122
• Log P: 3.4859643
• Molar Refractivity: 91.0705 cm^3
• Polarizability: 34.78067 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMSO,Hexane; Methanol
• Apperance: Pale Brown Solid
• Melting Point: 88-90°C