ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate

• ChemBase ID: 801390
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: C1(CCN(C(C1)C(=O)OCC)C(C)c1ccccc1)NC
• Canonical SMILES: CCOC(=O)C1CC(NC)CCN1C(c1ccccc1)C
• InChI: InChI=1S/C17H26N2O2/c1-4-21-17(20)16-12-15(18-3)10-11-19(16)13(2)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
• InChIKey: CRDXCIDOQPFRLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate
• IUPAC Traditional name: ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate
• Synonyms: ETHYL 4-(METHYLAMINO)-1-(1-PHENYLETHYL)PIPERIDINE-2-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3878238
• LogD (pH = 7.4): -0.27397904
• Log P: 2.1676173
• Molar Refractivity: 84.5235 cm^3
• Polarizability: 33.67805 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%