1-phenyl-N-propylpiperidin-4-amine

• ChemBase ID: 267841
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(CCC(CC1)NCCC)c1ccccc1
• Canonical SMILES: CCCNC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C14H22N2/c1-2-10-15-13-8-11-16(12-9-13)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3
• InChIKey: LITIGRBRRFMRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-N-propylpiperidin-4-amine
• IUPAC Traditional name: 1-phenyl-N-propylpiperidin-4-amine
• Synonyms: 1-phenyl-N-propylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11640903
• PubChem SID: 164323751
• PubChem CID: 43315393

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64390236
• LogD (pH = 7.4): -0.29049668
• Log P: 2.6043782
• Molar Refractivity: 69.9156 cm^3
• Polarizability: 27.045435 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.197

Product Information

• Purity: 95%