1,2,5-trimethyl-N-(2-phenylethyl)piperidin-4-amine

• ChemBase ID: 16799
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: C1(C(CN(C(C1)C)C)C)NCCc1ccccc1
• Canonical SMILES: CC1CN(C)C(CC1NCCc1ccccc1)C
• InChI: InChI=1S/C16H26N2/c1-13-12-18(3)14(2)11-16(13)17-10-9-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
• InChIKey: KPRIEJCCTJJFOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5-trimethyl-N-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: 1,2,5-trimethyl-N-(2-phenylethyl)piperidin-4-amine
• Synonyms: Phenethyl-(1,2,5-trimethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD04238113
• PubChem SID: 160980106
• PubChem CID: 3154325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9597237
• LogD (pH = 7.4): -0.90320903
• Log P: 2.7429605
• Molar Refractivity: 78.3473 cm^3
• Polarizability: 31.06313 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false