2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol

C12H15ClF3N3O — CID 107228409

IUPAC2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15ClF3N3O/c13-9-6-10(18-11(17-9)12(14,15)16)19-4-1-2-8(7-19)3-5-20/h6,8,20H,1-5,7H2
InChIKeyHGLUVTIXWVOADC-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol

2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol (PubChem CID 107228409) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
PubChem CID107228409
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15ClF3N3O/c13-9-6-10(18-11(17-9)12(14,15)16)19-4-1-2-8(7-19)3-5-20/h6,8,20H,1-5,7H2
InChIKeyHGLUVTIXWVOADC-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol (CID 107228409) is 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol is OCCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is HGLUVTIXWVOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-6-10(18-11(17-9)12(14,15)16)19-4-1-2-8(7-19)3-5-20/h6,8,20H,1-5,7H2.
What are the key properties of 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 309.72 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).