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188792-70-3 | 1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) 4-ethyl ester
CAS No: 188792-70-3 Catalog No: AG002HBV MDL No:MFCD10565657
Product Description
Catalog Number:
AG002HBV
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) 4-ethyl ester
CAS Number:
188792-70-3
Molecular Formula:
C15H27NO4
Molecular Weight:
285.3792
MDL Number:
MFCD10565657
IUPAC Name:
1-O-tert-butyl 4-O-ethyl 4-ethylpiperidine-1,4-dicarboxylate
InChI:
InChI=1S/C15H27NO4/c1-6-15(12(17)19-7-2)8-10-16(11-9-15)13(18)20-14(3,4)5/h6-11H2,1-5H3
InChI Key:
JLXSBKSGHPCYMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.384g/mol
Monoisotopic Mass:
285.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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