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1372144-57-4 | 1,4-Piperidinedicarboxylic acid, 2-(4-morpholinylmethyl)-, 1-methyl ester
CAS No: 1372144-57-4 Catalog No: AG0012Y6 MDL No:
Product Description
Catalog Number:
AG0012Y6
Chemical Name:
1,4-Piperidinedicarboxylic acid, 2-(4-morpholinylmethyl)-, 1-methyl ester
CAS Number:
1372144-57-4
Molecular Formula:
C13H21N2O5-
Molecular Weight:
285.3162
IUPAC Name:
1-methoxycarbonyl-2-(morpholin-4-ylmethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H22N2O5/c1-19-13(18)15-3-2-10(12(16)17)8-11(15)9-14-4-6-20-7-5-14/h10-11H,2-9H2,1H3,(H,16,17)
InChI Key:
KXTJSQORYWUXCL-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(CC1CN1CCOCC1)C(=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.328g/mol
Monoisotopic Mass:
286.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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