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

C11H13ClF3N3O — CID 106767232

IUPAC[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3O/c12-8-4-9(17-10(16-8)11(13,14)15)18-3-1-2-7(5-18)6-19/h4,7,19H,1-3,5-6H2
InChIKeyPVTFFEHVQWONEY-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.36
Rot. Bonds2

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

[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 106767232) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID106767232
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3O/c12-8-4-9(17-10(16-8)11(13,14)15)18-3-1-2-7(5-18)6-19/h4,7,19H,1-3,5-6H2
InChIKeyPVTFFEHVQWONEY-UHFFFAOYSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol (CID 106767232) is [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is PVTFFEHVQWONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-8-4-9(17-10(16-8)11(13,14)15)18-3-1-2-7(5-18)6-19/h4,7,19H,1-3,5-6H2.
What are the key properties of [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 295.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 106767232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).