4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid

C23H24F3N5O3 — CID 68705091

IUPAC4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESCc1nnnn1-c1cc(COCC2(c3ccccc3)CCN(C(=O)O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5O3/c1-16-27-28-29-31(16)20-12-17(11-19(13-20)23(24,25)26)14-34-15-22(18-5-3-2-4-6-18)7-9-30(10-8-22)21(32)33/h2-6,11-13H,7-10,14-15H2,1H3,(H,32,33)
InChIKeyDZKQQEKQWMKPHH-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.22
Rot. Bonds6

About 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid

4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 68705091) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
PubChem CID68705091
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESCc1nnnn1-c1cc(COCC2(c3ccccc3)CCN(C(=O)O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5O3/c1-16-27-28-29-31(16)20-12-17(11-19(13-20)23(24,25)26)14-34-15-22(18-5-3-2-4-6-18)7-9-30(10-8-22)21(32)33/h2-6,11-13H,7-10,14-15H2,1H3,(H,32,33)
InChIKeyDZKQQEKQWMKPHH-UHFFFAOYSA-N
XLogP4.22
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Phenyl-4-((3-(trifluoromethyl)-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyloxy)methyl)piperidine
CID 24785445
4-((3-(5-Methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine
CID 58993452
Tert-butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate
CID 18942152
1-(4-Chlorobut-2-ynyl)-3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
CID 18942154
[2S,3S]-1-(4-chlorobut-2-yn-1-yl)-2-phenyl-3-[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine
CID 57123707
[2S,3S]-1-tert-butoxycarbonyl-2-phenyl-3-[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine
CID 57127052
[2S,3S]-1-(4-azidobut-2-yn-1-yl)-2-phenyl-3-[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine
CID 57171522
benzyl 7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 57880413
tert-Butyl 4-((3-(5-methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
CID 58993687
tert-Butyl 4-phenyl-4-((3-(trifluoromethyl)-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyloxy)methyl)piperidine-1-carboxylate
CID 58993691
benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate
CID 59049946
Butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate
CID 67634406

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid (CID 68705091) is 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid is Cc1nnnn1-c1cc(COCC2(c3ccccc3)CCN(C(=O)O)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is DZKQQEKQWMKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-16-27-28-29-31(16)20-12-17(11-19(13-20)23(24,25)26)14-34-15-22(18-5-3-2-4-6-18)7-9-30(10-8-22)21(32)33/h2-6,11-13H,7-10,14-15H2,1H3,(H,32,33).
What are the key properties of 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid?
4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 475.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 68705091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).