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155456-33-0 | 1-Piperidinecarboxylic acid, 4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 155456-33-0 Catalog No: AG001NXQ MDL No:MFCD09054712
Product Description
Catalog Number:
AG001NXQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
155456-33-0
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
MDL Number:
MFCD09054712
IUPAC Name:
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-9-15(10-12-21)13-20-17(22)24-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,22)
InChI Key:
LHJZQQDQPDWNNI-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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