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1017781-53-1 | 1-Piperidinecarboxylic acid, 4-(1,3-dioxo-3-phenylpropyl)-, 1,1-dimethylethyl ester
CAS No: 1017781-53-1 Catalog No: AG0005HT MDL No:MFCD09997722
Product Description
Catalog Number:
AG0005HT
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1,3-dioxo-3-phenylpropyl)-, 1,1-dimethylethyl ester
CAS Number:
1017781-53-1
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
MDL Number:
MFCD09997722
IUPAC Name:
tert-butyl 4-(3-oxo-3-phenylpropanoyl)piperidine-1-carboxylate
InChI:
InChI=1S/C19H25NO4/c1-19(2,3)24-18(23)20-11-9-15(10-12-20)17(22)13-16(21)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChI Key:
WIKKPWJFQQMRHQ-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)CC(=O)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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