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

C12H13F3N2O — CID 764830

IUPACpyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O/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/t10-/m1/s1
InChIKeyWZXCLTFIURVGMP-SNVBAGLBSA-N
MW258.24 g/mol
LogP2.50
Rot. Bonds1

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

pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 764830) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID764830
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Namepyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O/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/t10-/m1/s1
InChIKeyWZXCLTFIURVGMP-SNVBAGLBSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[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-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 764830) is pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is WZXCLTFIURVGMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F3N2O/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/t10-/m1/s1.
What are the key properties of pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 258.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 764830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).