2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C22H26F3N3O — CID 95810474

IUPAC2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H26F3N3O/c1-27(2)15-21(29)28-12-10-17(11-13-28)20-5-3-4-19(26-20)14-16-6-8-18(9-7-16)22(23,24)25/h3-9,17H,10-15H2,1-2H3
InChIKeyFCRGTJZFXJAFCV-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.96
Rot. Bonds5

About 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95810474) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95810474
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H26F3N3O/c1-27(2)15-21(29)28-12-10-17(11-13-28)20-5-3-4-19(26-20)14-16-6-8-18(9-7-16)22(23,24)25/h3-9,17H,10-15H2,1-2H3
InChIKeyFCRGTJZFXJAFCV-UHFFFAOYSA-N
XLogP3.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818201
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110250008
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 95810474) is 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is CN(C)CC(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is FCRGTJZFXJAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-27(2)15-21(29)28-12-10-17(11-13-28)20-5-3-4-19(26-20)14-16-6-8-18(9-7-16)22(23,24)25/h3-9,17H,10-15H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 405.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95810474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).