4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine

C21H22F3N5O — CID 58993596

IUPAC4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)18-11-15(10-16(12-18)19-26-28-29-27-19)13-30-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27,28,29)
InChIKeyUZKYNGFCRNTQPY-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.72
Rot. Bonds6

About 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine

4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine (PubChem CID 58993596) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine
PubChem CID58993596
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)18-11-15(10-16(12-18)19-26-28-29-27-19)13-30-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27,28,29)
InChIKeyUZKYNGFCRNTQPY-UHFFFAOYSA-N
XLogP3.72
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine (CID 58993596) is 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The InChIKey is UZKYNGFCRNTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-21(23,24)18-11-15(10-16(12-18)19-26-28-29-27-19)13-30-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27,28,29).
What are the key properties of 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine has a molecular weight of 417.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 58993596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).