(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C17H17F6N3O — CID 168826643

IUPAC(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2ncc(C(F)(F)F)[nH]2)N1
InChIInChI=1S/C17H17F6N3O/c1-9-6-15(27,10-2-4-11(5-3-10)16(18,19)20)7-12(25-9)14-24-8-13(26-14)17(21,22)23/h2-5,8-9,12,25,27H,6-7H2,1H3,(H,24,26)/t9-,12-,15?/m0/s1
InChIKeyCUJAIPLGSKEPPV-NZASNDRTSA-N
MW393.33 g/mol
LogP4.15
Rot. Bonds2

About (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826643) has the molecular formula C17H17F6N3O and a molecular weight of 393.33 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826643
Molecular FormulaC17H17F6N3O
Molecular Weight393.33 g/mol
Exact Mass393.13
IUPAC Name(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2ncc(C(F)(F)F)[nH]2)N1
InChIInChI=1S/C17H17F6N3O/c1-9-6-15(27,10-2-4-11(5-3-10)16(18,19)20)7-12(25-9)14-24-8-13(26-14)17(21,22)23/h2-5,8-9,12,25,27H,6-7H2,1H3,(H,24,26)/t9-,12-,15?/m0/s1
InChIKeyCUJAIPLGSKEPPV-NZASNDRTSA-N
XLogP4.15
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826643) is (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is C[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2ncc(C(F)(F)F)[nH]2)N1.
What is the InChIKey of (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is CUJAIPLGSKEPPV-NZASNDRTSA-N. The full InChI is InChI=1S/C17H17F6N3O/c1-9-6-15(27,10-2-4-11(5-3-10)16(18,19)20)7-12(25-9)14-24-8-13(26-14)17(21,22)23/h2-5,8-9,12,25,27H,6-7H2,1H3,(H,24,26)/t9-,12-,15?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 393.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).