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1191123-72-4 | 4-Piperidinecarboxylic acid, 4-(3-pyridinyl)-, ethyl ester
CAS No: 1191123-72-4 Catalog No: AG000I7O MDL No:MFCD23701683
Product Description
Catalog Number:
AG000I7O
Chemical Name:
4-Piperidinecarboxylic acid, 4-(3-pyridinyl)-, ethyl ester
CAS Number:
1191123-72-4
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD23701683
IUPAC Name:
ethyl 4-pyridin-3-ylpiperidine-4-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-2-17-12(16)13(5-8-14-9-6-13)11-4-3-7-15-10-11/h3-4,7,10,14H,2,5-6,8-9H2,1H3
InChI Key:
TVTNEVHQOGETRL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCNCC1)c1cccnc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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