3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine

C18H22F3N3O — CID 175268582

IUPAC3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(N3C=CN(C4CC4)C3)C2)cc1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)25-17-5-1-13(2-6-17)14-9-16(11-22-10-14)24-8-7-23(12-24)15-3-4-15/h1-2,5-8,14-16,22H,3-4,9-12H2
InChIKeyZWJFJRDBPJJSEQ-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.24
Rot. Bonds4

About 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine

3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 175268582) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID175268582
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(N3C=CN(C4CC4)C3)C2)cc1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)25-17-5-1-13(2-6-17)14-9-16(11-22-10-14)24-8-7-23(12-24)15-3-4-15/h1-2,5-8,14-16,22H,3-4,9-12H2
InChIKeyZWJFJRDBPJJSEQ-UHFFFAOYSA-N
XLogP3.24
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine (CID 175268582) is 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1ccc(C2CNCC(N3C=CN(C4CC4)C3)C2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is ZWJFJRDBPJJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c19-18(20,21)25-17-5-1-13(2-6-17)14-9-16(11-22-10-14)24-8-7-23(12-24)15-3-4-15/h1-2,5-8,14-16,22H,3-4,9-12H2.
What are the key properties of 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine?
3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 353.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2H-imidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 175268582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).