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

C18H22F3N3O — CID 168912893

IUPAC(2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCc1cnc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)[nH]1
InChIInChI=1S/C18H22F3N3O/c1-3-14-10-22-16(24-14)15-9-17(25,8-11(2)23-15)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15,23,25H,3,8-9H2,1-2H3,(H,22,24)/t11-,15-,17?/m0/s1
InChIKeyNAVDXGWKPFZGNU-GXOJGJIOSA-N
MW353.39 g/mol
LogP3.69
Rot. Bonds3

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

(2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168912893) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168912893
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name(2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCc1cnc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)[nH]1
InChIInChI=1S/C18H22F3N3O/c1-3-14-10-22-16(24-14)15-9-17(25,8-11(2)23-15)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15,23,25H,3,8-9H2,1-2H3,(H,22,24)/t11-,15-,17?/m0/s1
InChIKeyNAVDXGWKPFZGNU-GXOJGJIOSA-N
XLogP3.69
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168912893) is (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is CCc1cnc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)[nH]1.
What is the InChIKey of (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is NAVDXGWKPFZGNU-GXOJGJIOSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-3-14-10-22-16(24-14)15-9-17(25,8-11(2)23-15)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,15,23,25H,3,8-9H2,1-2H3,(H,22,24)/t11-,15-,17?/m0/s1.
What are the key properties of (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 353.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(5-ethyl-1H-imidazol-2-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168912893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).