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

C17H24F3N3O — CID 125020085

IUPACtrans-(1S,2S)-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-/m0/s1
InChIKeyYAOMEIWBRFFVRH-KBPBESRZSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds2

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

trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 125020085) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID125020085
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Nametrans-(1S,2S)-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-/m0/s1
InChIKeyYAOMEIWBRFFVRH-KBPBESRZSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol (CID 125020085) is trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-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 trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is YAOMEIWBRFFVRH-KBPBESRZSA-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-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-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 trans-(1S,2S)-2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 125020085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).