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138030-53-2 | 4-Piperidinecarboxylic acid, 1-(2-pyridinylmethyl)-, ethyl ester
CAS No: 138030-53-2 Catalog No: AG0017V2 MDL No:MFCD06316556
Product Description
Catalog Number:
AG0017V2
Chemical Name:
4-Piperidinecarboxylic acid, 1-(2-pyridinylmethyl)-, ethyl ester
CAS Number:
138030-53-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD06316556
IUPAC Name:
ethyl 1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-2-18-14(17)12-6-9-16(10-7-12)11-13-5-3-4-8-15-13/h3-5,8,12H,2,6-7,9-11H2,1H3
InChI Key:
BGILFJLUTHFTKB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)Cc1ccccn1
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:
1.4
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