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58547-67-4 | 1-Fluoro-4-(piperidinocarbonyl)benzene
CAS No: 58547-67-4 Catalog No: AG003EC2 MDL No:MFCD00174322
Product Description
Catalog Number:
AG003EC2
Chemical Name:
1-Fluoro-4-(piperidinocarbonyl)benzene
CAS Number:
58547-67-4
Molecular Formula:
C12H14FNO
Molecular Weight:
207.2441
MDL Number:
MFCD00174322
IUPAC Name:
(4-fluorophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H14FNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChI Key:
UVBXLMBIXAPNBB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)N1CCCCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.248g/mol
Monoisotopic Mass:
207.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones. | Journal of medicinal chemistry 20020103 |
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