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1363165-85-8 | 1,3-Piperidinedicarboxylic acid, 3-ethyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1363165-85-8 Catalog No: AG0011LV MDL No:MFCD21641312
Product Description
Catalog Number:
AG0011LV
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-ethyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1363165-85-8
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD21641312
IUPAC Name:
1-O-tert-butyl 3-O-methyl 3-ethylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C14H25NO4/c1-6-14(11(16)18-5)8-7-9-15(10-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
InChI Key:
HZCODVOTFNOVHS-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC)CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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