1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol

C10H12F3N3O — CID 71226407

IUPAC1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol
SMILESOC1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9-14-4-7(5-15-9)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6H2
InChIKeyNKHRCAPEIXSYMT-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol

1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol (PubChem CID 71226407) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol
PubChem CID71226407
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol
SMILESOC1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9-14-4-7(5-15-9)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6H2
InChIKeyNKHRCAPEIXSYMT-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol (CID 71226407) is 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol is OC1CCCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol?
The InChIKey is NKHRCAPEIXSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9-14-4-7(5-15-9)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6H2.
What are the key properties of 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol?
1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol is sourced from PubChem (CID 71226407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).