Home Carboxys 1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-methyl 1-(phenylmethyl) ester

1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-methyl 1-(phenylmethyl) ester

CAS No.:
1363166-34-0
Catalog Number:
AG0011MJ
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
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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  
Properties