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

C17H24F3N3O — CID 95827619

IUPAC1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(c3cc(C(F)(F)F)ncn3)CC2)CCCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-10-14(21-12-22-15)13-4-8-23(9-5-13)11-16(24)6-2-1-3-7-16/h10,12-13,24H,1-9,11H2
InChIKeyDULBNMRCKSTIQJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.37
Rot. Bonds3

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

1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95827619) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95827619
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(c3cc(C(F)(F)F)ncn3)CC2)CCCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-10-14(21-12-22-15)13-4-8-23(9-5-13)11-16(24)6-2-1-3-7-16/h10,12-13,24H,1-9,11H2
InChIKeyDULBNMRCKSTIQJ-UHFFFAOYSA-N
XLogP3.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
1-[[2-[2-(6-Methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]cyclohexan-1-ol
CID 110116522
(4aS*,8aS*)-2-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]octahydroisoquinolin-4a(2H)-ol
CID 56869181
(3S*,4S*)-4-[(dimethylamino)methyl]-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol
CID 56872963
{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}methanol
CID 56878496
4-(1-Methylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidine
CID 73440161
cis-3-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]cyclobutanol
CID 91780560
trans-(1R,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 95827624
2-[4-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090191
4-(1-Methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 110269859
trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 125020085
cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
CID 125020086

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 95827619) is 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC(c3cc(C(F)(F)F)ncn3)CC2)CCCCC1.
What is the InChIKey of 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is DULBNMRCKSTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)15-10-14(21-12-22-15)13-4-8-23(9-5-13)11-16(24)6-2-1-3-7-16/h10,12-13,24H,1-9,11H2.
What are the key properties of 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 343.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95827619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).