pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride

C12H13ClF3N2O- — CID 21235844

IUPACpyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
SMILESO=C(c1ccncc1)N1CCCC(C(F)(F)F)C1.[Cl-]
InChIInChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-2-1-7-17(8-10)11(18)9-3-5-16-6-4-9;/h3-6,10H,1-2,7-8H2;1H/p-1
InChIKeyWBWWWLSKZFYTBF-UHFFFAOYSA-M
MW293.70 g/mol
LogP-0.50
Rot. Bonds1

About pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride

pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride (PubChem CID 21235844) has the molecular formula C12H13ClF3N2O- and a molecular weight of 293.70 g/mol. Its IUPAC name is pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride.

Molecular Properties

Compound Namepyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
PubChem CID21235844
Molecular FormulaC12H13ClF3N2O-
Molecular Weight293.70 g/mol
Exact Mass293.07
IUPAC Namepyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
SMILESO=C(c1ccncc1)N1CCCC(C(F)(F)F)C1.[Cl-]
InChIInChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-2-1-7-17(8-10)11(18)9-3-5-16-6-4-9;/h3-6,10H,1-2,7-8H2;1H/p-1
InChIKeyWBWWWLSKZFYTBF-UHFFFAOYSA-M
XLogP-0.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918116
(4-ethynylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459096
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46674111
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 126821129
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
[3-iodo-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172647493
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride?
The IUPAC name of pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride (CID 21235844) is pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride.
What is the SMILES notation for pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride?
The canonical SMILES for pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride is O=C(c1ccncc1)N1CCCC(C(F)(F)F)C1.[Cl-].
What is the InChIKey of pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride?
The InChIKey is WBWWWLSKZFYTBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-2-1-7-17(8-10)11(18)9-3-5-16-6-4-9;/h3-6,10H,1-2,7-8H2;1H/p-1.
What are the key properties of pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride?
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride has a molecular weight of 293.70 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride is sourced from PubChem (CID 21235844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).