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114019-52-2 | 2-Piperidinecarboxylic acid, 1-(1-oxo-4-phenylbutyl)-, ethyl ester
CAS No: 114019-52-2 Catalog No: AG000AB8 MDL No:
Product Description
Catalog Number:
AG000AB8
Chemical Name:
2-Piperidinecarboxylic acid, 1-(1-oxo-4-phenylbutyl)-, ethyl ester
CAS Number:
114019-52-2
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
IUPAC Name:
ethyl 1-(4-phenylbutanoyl)piperidine-2-carboxylate
InChI:
InChI=1S/C18H25NO3/c1-2-22-18(21)16-12-6-7-14-19(16)17(20)13-8-11-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3
InChI Key:
CIFNWIZYOLNJTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCN1C(=O)CCCc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.402g/mol
Monoisotopic Mass:
303.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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