1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol

C11H13ClF3N3O — CID 106768459

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cc(Cl)nc(C(F)(F)F)n2)CCC1O
InChIInChI=1S/C11H13ClF3N3O/c1-6-5-18(3-2-7(6)19)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3
InChIKeySWUFSEUUIQWTPN-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.36
Rot. Bonds1

About 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol (PubChem CID 106768459) 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]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
PubChem CID106768459
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cc(Cl)nc(C(F)(F)F)n2)CCC1O
InChIInChI=1S/C11H13ClF3N3O/c1-6-5-18(3-2-7(6)19)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3
InChIKeySWUFSEUUIQWTPN-UHFFFAOYSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol (CID 106768459) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol is CC1CN(c2cc(Cl)nc(C(F)(F)F)n2)CCC1O.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
The InChIKey is SWUFSEUUIQWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6-5-18(3-2-7(6)19)9-4-8(12)16-10(17-9)11(13,14)15/h4,6-7,19H,2-3,5H2,1H3.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol has a molecular weight of 295.69 g/mol, XLogP of 2.36, 1 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 106768459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).