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116512-92-6 | 1-Piperidinecarboxylic acid, 4-(phenylamino)-, ethyl ester
CAS No: 116512-92-6 Catalog No: AG000CNZ MDL No:MFCD09743792
Product Description
Catalog Number:
AG000CNZ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(phenylamino)-, ethyl ester
CAS Number:
116512-92-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD09743792
IUPAC Name:
ethyl 4-anilinopiperidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-2-18-14(17)16-10-8-13(9-11-16)15-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChI Key:
AOCPQWXKKIAVLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)Nc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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