1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H22F3N3O — CID 56883851

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCn1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C18H22F3N3O/c1-2-24-13-14(11-22-24)12-23-8-6-17(25,7-9-23)15-4-3-5-16(10-15)18(19,20)21/h3-5,10-11,13,25H,2,6-9,12H2,1H3
InChIKeyKOAWMIFDQSTYFO-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.41
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 56883851) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID56883851
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCn1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C18H22F3N3O/c1-2-24-13-14(11-22-24)12-23-8-6-17(25,7-9-23)15-4-3-5-16(10-15)18(19,20)21/h3-5,10-11,13,25H,2,6-9,12H2,1H3
InChIKeyKOAWMIFDQSTYFO-UHFFFAOYSA-N
XLogP3.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 56883851) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is CCn1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is KOAWMIFDQSTYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-2-24-13-14(11-22-24)12-23-8-6-17(25,7-9-23)15-4-3-5-16(10-15)18(19,20)21/h3-5,10-11,13,25H,2,6-9,12H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 353.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 56883851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).