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Home > Pyridines > 1261232-87-4
1261232-87-4 | (4'-Cyano-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-methyl-carbamic acid tert-butyl ester
CAS No: 1261232-87-4 Catalog No: AG01EREA MDL No:
Product Description
Catalog Number:
AG01EREA
Chemical Name:
(4'-Cyano-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-methyl-carbamic acid tert-butyl ester
CAS Number:
1261232-87-4
Molecular Formula:
C17H24N4O2
Molecular Weight:
316.3981
IUPAC Name:
tert-butyl N-[1-(4-cyanopyridin-2-yl)piperidin-4-yl]-N-methylcarbamate
InChI:
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20(4)14-6-9-21(10-7-14)15-11-13(12-18)5-8-19-15/h5,8,11,14H,6-7,9-10H2,1-4H3
InChI Key:
MLCZWZVIGGZVRS-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)N1CCC(CC1)N(C(=O)OC(C)(C)C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.405g/mol
Monoisotopic Mass:
316.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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