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817208-91-6 | 4-Piperidinecarbonitrile, 4-benzo[b]thien-3-yl-1-methyl-
CAS No: 817208-91-6 Catalog No: AG005IZZ MDL No:
Product Description
Catalog Number:
AG005IZZ
Chemical Name:
4-Piperidinecarbonitrile, 4-benzo[b]thien-3-yl-1-methyl-
CAS Number:
817208-91-6
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
IUPAC Name:
4-(1-benzothiophen-3-yl)-1-methylpiperidine-4-carbonitrile
InChI:
InChI=1S/C15H16N2S/c1-17-8-6-15(11-16,7-9-17)13-10-18-14-5-3-2-4-12(13)14/h2-5,10H,6-9H2,1H3
InChI Key:
CFWHOKROVJTGPE-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C)c1csc2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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