1-ethyl-N-phenylpiperidin-4-amine

• ChemBase ID: 264559
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CCC(Nc2ccccc2)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)Nc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-2-15-10-8-13(9-11-15)14-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
• InChIKey: QJCRLBNVZQALIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-phenylpiperidin-4-amine
• IUPAC Traditional name: 1-ethyl-N-phenylpiperidin-4-amine
• Synonyms: 1-ethyl-N-phenylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11138664
• PubChem SID: 164320469
• PubChem CID: 21432786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4526734
• LogD (pH = 7.4): 0.052579895
• Log P: 1.829638
• Molar Refractivity: 66.4515 cm^3
• Polarizability: 25.199444 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.228

Product Information

• Purity: 95%