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1363166-02-2 | 1,3-Piperidinedicarboxylic acid, 3-ethyl-, 3-methyl 1-(phenylmethyl) ester
CAS No: 1363166-02-2 Catalog No: AG0011LN MDL No:MFCD21641314
Product Description
Catalog Number:
AG0011LN
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-ethyl-, 3-methyl 1-(phenylmethyl) ester
CAS Number:
1363166-02-2
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
MDL Number:
MFCD21641314
IUPAC Name:
1-O-benzyl 3-O-methyl 3-ethylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C17H23NO4/c1-3-17(15(19)21-2)10-7-11-18(13-17)16(20)22-12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChI Key:
NBKJSKPKIOFXOD-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC)CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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