1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

C16H18F3N3O — CID 56905139

IUPAC1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(10-12)23-13-4-8-22(9-5-13)11-15-20-6-7-21-15/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,21)
InChIKeyMUNVSXMLFFSNOI-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.47
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine

1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine (PubChem CID 56905139) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
PubChem CID56905139
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(10-12)23-13-4-8-22(9-5-13)11-15-20-6-7-21-15/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,21)
InChIKeyMUNVSXMLFFSNOI-UHFFFAOYSA-N
XLogP3.47
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine (CID 56905139) is 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine is FC(F)(F)c1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is MUNVSXMLFFSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)12-2-1-3-14(10-12)23-13-4-8-22(9-5-13)11-15-20-6-7-21-15/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,21).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine?
1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 325.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 56905139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).