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

C19H24F3N3O — CID 168912801

IUPAC(2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC(C)c1cnc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)[nH]1
InChIInChI=1S/C19H24F3N3O/c1-11(2)16-10-23-17(25-16)15-9-18(26,8-12(3)24-15)13-4-6-14(7-5-13)19(20,21)22/h4-7,10-12,15,24,26H,8-9H2,1-3H3,(H,23,25)/t12-,15-,18?/m0/s1
InChIKeyBHATUWOIXOGFJZ-DJGLPDFBSA-N
MW367.42 g/mol
LogP4.25
Rot. Bonds3

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

(2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168912801) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168912801
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCC(C)c1cnc([C@@H]2CC(O)(c3ccc(C(F)(F)F)cc3)C[C@H](C)N2)[nH]1
InChIInChI=1S/C19H24F3N3O/c1-11(2)16-10-23-17(25-16)15-9-18(26,8-12(3)24-15)13-4-6-14(7-5-13)19(20,21)22/h4-7,10-12,15,24,26H,8-9H2,1-3H3,(H,23,25)/t12-,15-,18?/m0/s1
InChIKeyBHATUWOIXOGFJZ-DJGLPDFBSA-N
XLogP4.25
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.25
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-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168912801) is (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is CC(C)c1cnc([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-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is BHATUWOIXOGFJZ-DJGLPDFBSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-11(2)16-10-23-17(25-16)15-9-18(26,8-12(3)24-15)13-4-6-14(7-5-13)19(20,21)22/h4-7,10-12,15,24,26H,8-9H2,1-3H3,(H,23,25)/t12-,15-,18?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
(2S,6S)-2-methyl-6-(5-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 367.42 g/mol, XLogP of 4.25, 3 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-propan-2-yl-1H-imidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168912801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).