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

C17H24F3N3O — CID 125020086

IUPACcis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN([C@@H]3CCCC[C@@H]3O)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/t13-,14+/m1/s1
InChIKeyYAOMEIWBRFFVRH-KGLIPLIRSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds2

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

cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 125020086) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID125020086
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Namecis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)nc(C2CCN([C@@H]3CCCC[C@@H]3O)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/t13-,14+/m1/s1
InChIKeyYAOMEIWBRFFVRH-KGLIPLIRSA-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

Analyze cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (CID 125020086) is cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol is Cc1cc(C(F)(F)F)nc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1.
What is the InChIKey of cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is YAOMEIWBRFFVRH-KGLIPLIRSA-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/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
cis-(1S,2R)-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 cis-(1S,2R)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 125020086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).