1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C12H16F3N3O2 — CID 80706811

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-11(20)3-6-17(7-4-11)10(19)8-18-5-2-9(16-18)12(13,14)15/h2,5,20H,3-4,6-8H2,1H3
InChIKeyNMARIFMMMOPCRD-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.28
Rot. Bonds2

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 80706811) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID80706811
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-11(20)3-6-17(7-4-11)10(19)8-18-5-2-9(16-18)12(13,14)15/h2,5,20H,3-4,6-8H2,1H3
InChIKeyNMARIFMMMOPCRD-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 80706811) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC1(O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is NMARIFMMMOPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(20)3-6-17(7-4-11)10(19)8-18-5-2-9(16-18)12(13,14)15/h2,5,20H,3-4,6-8H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 291.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 80706811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).