1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol

C10H11ClF3N3O — CID 113341159

IUPAC1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H11ClF3N3O/c11-7-5-15-6-8(16-7)17-3-1-9(18,2-4-17)10(12,13)14/h5-6,18H,1-4H2
InChIKeyXDARHPRQIIKUIN-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.02
Rot. Bonds1

About 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol

1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 113341159) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.66 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID113341159
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.66 g/mol
Exact Mass281.05
IUPAC Name1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H11ClF3N3O/c11-7-5-15-6-8(16-7)17-3-1-9(18,2-4-17)10(12,13)14/h5-6,18H,1-4H2
InChIKeyXDARHPRQIIKUIN-UHFFFAOYSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol (CID 113341159) is 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol is OC1(C(F)(F)F)CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is XDARHPRQIIKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-7-5-15-6-8(16-7)17-3-1-9(18,2-4-17)10(12,13)14/h5-6,18H,1-4H2.
What are the key properties of 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 281.66 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 113341159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).