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824431-21-2 | 4-Piperidinecarbonitrile, 4-amino-1-[(4-fluorophenyl)methyl]-
CAS No: 824431-21-2 Catalog No: AG0050QN MDL No:
Product Description
Catalog Number:
AG0050QN
Chemical Name:
4-Piperidinecarbonitrile, 4-amino-1-[(4-fluorophenyl)methyl]-
CAS Number:
824431-21-2
Molecular Formula:
C13H16FN3
Molecular Weight:
233.2846
IUPAC Name:
4-amino-1-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile
InChI:
InChI=1S/C13H16FN3/c14-12-3-1-11(2-4-12)9-17-7-5-13(16,10-15)6-8-17/h1-4H,5-9,16H2
InChI Key:
ZTZWFLSHTRNNAN-UHFFFAOYSA-N
SMILES:
N#CC1(N)CCN(CC1)Cc1ccc(cc1)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.29g/mol
Monoisotopic Mass:
233.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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