Molecular Structure of Methyl 1-benzyl-4-((propionyl)phenylamino)piperidine-4-carboxylate (CAS NO.61085-72-1):
IUPAC Name: Methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
Canonical SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3
InChIKey: QKRGHVDSVANHAD-UHFFFAOYSA-N
Molecular Weight: 380.48002 [g/mol]
Molecular Formula: C23H28N2O3
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.59
Molar Refractivity: 109.87 cm3
Molar Volume: 325.4 cm3
Surface Tension: 50.6 dyne/cm
Density: 1.169 g/cm3
Flash Point: 250.5 °C
Enthalpy of Vaporization: 75.71 kJ/mol
Boiling Point: 490.5 °C at 760 mmHg
Vapour Pressure: 9.08E-10 mmHg at 25 °C
Appearance: Brown Oil
EINECS: 262-590-8
Product Categories: Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals;Pharmaceuticals
Methyl 1-benzyl-4-((propionyl)phenylamino)piperidine-4-carboxylate (CAS NO.61085-72-1) is used as remifentanil derivative.
Methyl 1-benzyl-4-((propionyl)phenylamino)piperidine-4-carboxylate (CAS NO.61085-72-1), its Synonyms are 4-[(1-Oxopropyl)phenylamino]-1-benzyl-4-piperidinecarboxylic Acid Methyl Ester ; Methyl 4[N-(1-oxopropyl)-N-phenylamino]-1-benzyl-4-piperidinecarboxylate ; 1-Benzyl-4-(N-propionylanilino)piperidine-4-carboxylic acid methyl ester ; 1-Benzyl-4-(propanoylphenylamino)piperidine-4-carboxylic acid methyl ester ; 1-Benzyl-4-[phenyl(propionyl)amino]piperidine-4-carboxylic acid methyl ester ; 4-[(1-Oxopropyl)phenylamino]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester .
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