(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

C20H18Cl2F3NO — CID 24720417

IUPAC(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18Cl2F3NO/c21-16-2-1-3-17(22)18(16)19(27)26-10-8-14(9-11-26)12-13-4-6-15(7-5-13)20(23,24)25/h1-7,14H,8-12H2
InChIKeyFJEAKIUFVHCWEU-UHFFFAOYSA-N
MW416.27 g/mol
LogP6.11
Rot. Bonds3

About (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone

(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 24720417) has the molecular formula C20H18Cl2F3NO and a molecular weight of 416.27 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID24720417
Molecular FormulaC20H18Cl2F3NO
Molecular Weight416.27 g/mol
Exact Mass415.07
IUPAC Name(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H18Cl2F3NO/c21-16-2-1-3-17(22)18(16)19(27)26-10-8-14(9-11-26)12-13-4-6-15(7-5-13)20(23,24)25/h1-7,14H,8-12H2
InChIKeyFJEAKIUFVHCWEU-UHFFFAOYSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.27
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 164533554
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
[3-(2-chloroethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114801098
[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 46086891
4-(4-benzylpiperidine-1-carbonyl)-2,3,5,6-tetrafluorobenzenesulfonyl chloride
CID 21138810
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone (CID 24720417) is (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is O=C(c1c(Cl)cccc1Cl)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is FJEAKIUFVHCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3NO/c21-16-2-1-3-17(22)18(16)19(27)26-10-8-14(9-11-26)12-13-4-6-15(7-5-13)20(23,24)25/h1-7,14H,8-12H2.
What are the key properties of (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone?
(2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 416.27 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 24720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).