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

C11H13ClF3N3O — CID 106768142

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13ClF3N3O/c1-10(19)2-4-18(5-3-10)8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,2-5H2,1H3
InChIKeyXVOLVKWLZAFUSN-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.50
Rot. Bonds1

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

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 106768142) 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]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID106768142
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13ClF3N3O/c1-10(19)2-4-18(5-3-10)8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,2-5H2,1H3
InChIKeyXVOLVKWLZAFUSN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidine
CID 65532179
1-(2,6-Dichloro-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 87758136
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
2-[(3R,4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550216
2-[(3S,4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550217
2-[(4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550218
4-Chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine;hydrate
CID 140282549
(2S)-4-[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-2-methylmorpholine
CID 144739983
2-[1-(6-Chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 156493784
1-(6-Chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
CID 156640978
2-[(4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 169689236
(2S)-4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-2-ethylmorpholine
CID 173767728

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 106768142) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is XVOLVKWLZAFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-10(19)2-4-18(5-3-10)8-6-7(12)16-9(17-8)11(13,14)15/h6,19H,2-5H2,1H3.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 295.69 g/mol, XLogP of 2.50, 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]-4-methylpiperidin-4-ol is sourced from PubChem (CID 106768142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).