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123387-49-5 | 1-Piperidinecarboxylic acid, 4-phenyl-, 1,1-dimethylethyl ester
CAS No: 123387-49-5 Catalog No: AG000KGW MDL No:MFCD09953385
Product Description
Catalog Number:
AG000KGW
Chemical Name:
1-Piperidinecarboxylic acid, 4-phenyl-, 1,1-dimethylethyl ester
CAS Number:
123387-49-5
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
MDL Number:
MFCD09953385
IUPAC Name:
tert-butyl 4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-9-14(10-12-17)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChI Key:
FPJWVSRNJVENGQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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