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1,3-Piperidinedicarboxylicacid, 3-methyl-, 1-(phenylmethyl) ester (174543-78-3)

Identification
Name:1,3-Piperidinedicarboxylicacid, 3-methyl-, 1-(phenylmethyl) ester
Synonyms:3-Methyl-1,3-piperidinedicarboxylic acid 1-(phenylmethyl) ester
CAS:174543-78-3
Molecular Formula: C15H19 N O4
Molecular Weight: 277.32
InChI: InChI=1/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
Molecular Structure: (C15H19NO4) 3-Methyl-1,3-piperidinedicarboxylic acid 1-(phenylmethyl) ester
Properties
Density:1.224
Refractive index:1.555
Specification:

The 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid with the CAS number 174543-78-3 is also called 1,3-Piperidinedicarboxylicacid, 3-methyl-, 1-(phenylmethyl) ester. The systematic name is 1-benzyloxycarbonyl-3-methyl-piperidine-3-carboxylic acid. Its molecular formula is C15H19NO4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 37.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 72.78 cm3; (14)Molar Volume: 226.5 cm3; (15)Polarizability: 28.85×10-24cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Enthalpy of Vaporization: 73.51 kJ/mol; (18)Vapour Pressure: 1.57×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CCCN(C1)C(=O)OCc2ccccc2)C(=O)O
(2)InChI: InChI=1/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
(3)InChIKey: VTRVUNGMWPPWGP-UHFFFAOYAV

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