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56707-14-3 | piperidin-1-yl(pyridin-2-yl)acetonitrile
CAS No: 56707-14-3 Catalog No: AG00J7D8 MDL No:MFCD10005054
Product Description
Catalog Number:
AG00J7D8
Chemical Name:
piperidin-1-yl(pyridin-2-yl)acetonitrile
CAS Number:
56707-14-3
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD10005054
IUPAC Name:
2-piperidin-1-yl-2-pyridin-2-ylacetonitrile
InChI:
InChI=1S/C12H15N3/c13-10-12(11-6-2-3-7-14-11)15-8-4-1-5-9-15/h2-3,6-7,12H,1,4-5,8-9H2
InChI Key:
XTQISXHFCNVLNJ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccn1)N1CCCCC1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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