4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine

C16H18F3N3 — CID 46912441

IUPAC4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H18F3N3/c17-16(18,19)13-1-3-15(4-2-13)22-7-5-12(6-8-22)9-14-10-20-11-21-14/h1-4,10-12H,5-9H2,(H,20,21)
InChIKeyUUTLATQGKXUVDD-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.89
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine

4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 46912441) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID46912441
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H18F3N3/c17-16(18,19)13-1-3-15(4-2-13)22-7-5-12(6-8-22)9-14-10-20-11-21-14/h1-4,10-12H,5-9H2,(H,20,21)
InChIKeyUUTLATQGKXUVDD-UHFFFAOYSA-N
XLogP3.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine (CID 46912441) is 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is UUTLATQGKXUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c17-16(18,19)13-1-3-15(4-2-13)22-7-5-12(6-8-22)9-14-10-20-11-21-14/h1-4,10-12H,5-9H2,(H,20,21).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine?
4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 309.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 46912441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).