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727661-47-4 | N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CAS No: 727661-47-4 Catalog No: AG01AEBB MDL No:MFCD05858748
Product Description
Catalog Number:
AG01AEBB
Chemical Name:
N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CAS Number:
727661-47-4
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD05858748
IUPAC Name:
N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
InChI:
InChI=1S/C12H17N3O/c16-12(11-3-1-2-6-14-11)15-9-10-4-7-13-8-5-10/h1-3,6,10,13H,4-5,7-9H2,(H,15,16)
InChI Key:
VHVJIHSPRWXJMP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)NCC1CCNCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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