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138030-50-9 | 4-Piperidinecarboxylic acid, 1-(3-pyridinylmethyl)-, ethyl ester
CAS No: 138030-50-9 Catalog No: AG0017V3 MDL No:MFCD00811039
Product Description
Catalog Number:
AG0017V3
Chemical Name:
4-Piperidinecarboxylic acid, 1-(3-pyridinylmethyl)-, ethyl ester
CAS Number:
138030-50-9
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD00811039
IUPAC Name:
ethyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-8-16(9-6-13)11-12-4-3-7-15-10-12/h3-4,7,10,13H,2,5-6,8-9,11H2,1H3
InChI Key:
FUYCJXSMOQDUFB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)Cc1cccnc1
Properties
Complexity:
263
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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