4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol

C20H19F4N3O — CID 92571653

IUPAC4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1
InChIInChI=1S/C20H19F4N3O/c21-14-5-3-13(4-6-14)19(28)7-10-27(11-8-19)12-16-15-2-1-9-25-18(15)26-17(16)20(22,23)24/h1-6,9,28H,7-8,10-12H2,(H,25,26)
InChIKeyRLFVUVFGGHRVSF-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.20
Rot. Bonds3

About 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol

4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol (PubChem CID 92571653) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
PubChem CID92571653
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1
InChIInChI=1S/C20H19F4N3O/c21-14-5-3-13(4-6-14)19(28)7-10-27(11-8-19)12-16-15-2-1-9-25-18(15)26-17(16)20(22,23)24/h1-6,9,28H,7-8,10-12H2,(H,25,26)
InChIKeyRLFVUVFGGHRVSF-UHFFFAOYSA-N
XLogP4.20
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol (CID 92571653) is 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The InChIKey is RLFVUVFGGHRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c21-14-5-3-13(4-6-14)19(28)7-10-27(11-8-19)12-16-15-2-1-9-25-18(15)26-17(16)20(22,23)24/h1-6,9,28H,7-8,10-12H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol has a molecular weight of 393.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 92571653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).