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115655-42-0 | 1,4-Piperidinedicarboxylic acid, 4-aMino-, 4-Methyl 1-(phenylMethyl) ester
CAS No: 115655-42-0 Catalog No: AG000GPC MDL No:MFCD17170960
Product Description
Catalog Number:
AG000GPC
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-aMino-, 4-Methyl 1-(phenylMethyl) ester
CAS Number:
115655-42-0
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
MDL Number:
MFCD17170960
IUPAC Name:
1-O-benzyl 4-O-methyl 4-aminopiperidine-1,4-dicarboxylate
InChI:
InChI=1S/C15H20N2O4/c1-20-13(18)15(16)7-9-17(10-8-15)14(19)21-11-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3
InChI Key:
PLQPYSJTFRDBOT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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