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1363166-34-0 | 1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-methyl 1-(phenylmethyl) ester
CAS No: 1363166-34-0 Catalog No: AG0011MJ MDL No:MFCD21641319
Product Description
Catalog Number:
AG0011MJ
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-methyl 1-(phenylmethyl) ester
CAS Number:
1363166-34-0
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
MDL Number:
MFCD21641319
IUPAC Name:
1-O-benzyl 3-O-methyl 3-propan-2-ylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C18H25NO4/c1-14(2)18(16(20)22-3)10-7-11-19(13-18)17(21)23-12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3
InChI Key:
AOGOKRGCYJZZCV-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCN(C1)C(=O)OCc1ccccc1)C(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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