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88046-07-5 | Butanenitrile, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-
CAS No: 88046-07-5 Catalog No: AG004IXN MDL No:
Product Description
Catalog Number:
AG004IXN
Chemical Name:
Butanenitrile, 4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-
CAS Number:
88046-07-5
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
IUPAC Name:
4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybutanenitrile
InChI:
InChI=1S/C15H21N3O/c16-7-2-5-11-19-15-12-14(6-8-17-15)13-18-9-3-1-4-10-18/h6,8,12H,1-5,9-11,13H2
InChI Key:
XRGKUJRKWNKRIW-UHFFFAOYSA-N
SMILES:
N#CCCCOc1nccc(c1)CN1CCCCC1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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