2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol

C17H24F3N3O — CID 110090191

IUPAC2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H24F3N3O/c1-11-10-15(17(18,19)20)22-16(21-11)12-6-8-23(9-7-12)13-4-2-3-5-14(13)24/h10,12-14,24H,2-9H2,1H3
InChIKeyYAOMEIWBRFFVRH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds2

About 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 110090191) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID110090191
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C17H24F3N3O/c1-11-10-15(17(18,19)20)22-16(21-11)12-6-8-23(9-7-12)13-4-2-3-5-14(13)24/h10,12-14,24H,2-9H2,1H3
InChIKeyYAOMEIWBRFFVRH-UHFFFAOYSA-N
XLogP3.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95826802
2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
(3R*,4R*)-1-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-4-(4-morpholinyl)-3-piperidinol
CID 56863061
(3'R*,4'R*)-1'-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-1,4'-bipiperidine-3',4-diol
CID 56876930
1-[[4-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 95827619
trans-(1R,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 95827624
trans-(1S,2S)-2-[(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 100685363
2-[[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102633801
2-[[2-Amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640209
1-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102963131
4-[4-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]oxolan-3-ol
CID 110097349
(4S,5S)-5-(4,4-difluoropiperidin-1-yl)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-ol
CID 110128385

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (CID 110090191) is 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol is Cc1cc(C(F)(F)F)nc(C2CCN(C3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is YAOMEIWBRFFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-11-10-15(17(18,19)20)22-16(21-11)12-6-8-23(9-7-12)13-4-2-3-5-14(13)24/h10,12-14,24H,2-9H2,1H3.
What are the key properties of 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 343.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 110090191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).