1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

C16H16F3N3O2 — CID 99799067

IUPAC1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-3-1-2-12(10-13)15(23)4-8-22(9-5-15)14-11-20-6-7-21-14/h1-3,6-7,10-11,23H,4-5,8-9H2
InChIKeyHMDAOEFHOAWFGV-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.86
Rot. Bonds3

About 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (PubChem CID 99799067) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
PubChem CID99799067
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-3-1-2-12(10-13)15(23)4-8-22(9-5-15)14-11-20-6-7-21-14/h1-3,6-7,10-11,23H,4-5,8-9H2
InChIKeyHMDAOEFHOAWFGV-UHFFFAOYSA-N
XLogP2.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The IUPAC name of 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (CID 99799067) is 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is OC1(c2cccc(OC(F)(F)F)c2)CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The InChIKey is HMDAOEFHOAWFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-3-1-2-12(10-13)15(23)4-8-22(9-5-15)14-11-20-6-7-21-14/h1-3,6-7,10-11,23H,4-5,8-9H2.
What are the key properties of 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol has a molecular weight of 339.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 99799067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).