2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine

C24H22F3N3O — CID 91100499

IUPAC2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine
SMILESCC(=C1CCN(c2cccnc2)CC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H22F3N3O/c1-17(18-9-12-30(13-10-18)21-5-3-11-28-16-21)19-4-2-6-22(14-19)31-23-8-7-20(15-29-23)24(25,26)27/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyTWSSFQPPBBUSCH-UHFFFAOYSA-N
MW425.45 g/mol
LogP6.36
Rot. Bonds4

About 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine

2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 91100499) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID91100499
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine
SMILESCC(=C1CCN(c2cccnc2)CC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H22F3N3O/c1-17(18-9-12-30(13-10-18)21-5-3-11-28-16-21)19-4-2-6-22(14-19)31-23-8-7-20(15-29-23)24(25,26)27/h2-8,11,14-16H,9-10,12-13H2,1H3
InChIKeyTWSSFQPPBBUSCH-UHFFFAOYSA-N
XLogP6.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
6-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2800167
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
6-(4-Methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
CID 10402195
4-(2-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983454
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
4-(4-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983703
N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967634

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine (CID 91100499) is 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine is CC(=C1CCN(c2cccnc2)CC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is TWSSFQPPBBUSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-17(18-9-12-30(13-10-18)21-5-3-11-28-16-21)19-4-2-6-22(14-19)31-23-8-7-20(15-29-23)24(25,26)27/h2-8,11,14-16H,9-10,12-13H2,1H3.
What are the key properties of 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine?
2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 425.45 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1-pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 91100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).