1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine

C15H18F3N5OS — CID 8894975

IUPAC1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCCN2CCCCC2)cc1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)24-13-6-4-12(5-7-13)23-14(19-20-21-23)25-11-10-22-8-2-1-3-9-22/h4-7H,1-3,8-11H2
InChIKeyQOZBIDZFTUCMPR-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine

1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine (PubChem CID 8894975) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine
PubChem CID8894975
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCCN2CCCCC2)cc1
InChIInChI=1S/C15H18F3N5OS/c16-15(17,18)24-13-6-4-12(5-7-13)23-14(19-20-21-23)25-11-10-22-8-2-1-3-9-22/h4-7H,1-3,8-11H2
InChIKeyQOZBIDZFTUCMPR-UHFFFAOYSA-N
XLogP3.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 24500505
1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
CID 52561620
N-ethyl-2-[[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8971347
N-(1-cyanocyclopentyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8007297
1-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylpropyl]piperidine
CID 166217389
N-[[(2S)-oxolan-2-yl]methyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8010759
2-(4-chlorophenyl)-5-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 26650744
N-benzyl-N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 55845358
5-phenyl-3-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 78827203
N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 26023726
(2R)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 8971274
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine?
The IUPAC name of 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine (CID 8894975) is 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine.
What is the SMILES notation for 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine?
The canonical SMILES for 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine is FC(F)(F)Oc1ccc(-n2nnnc2SCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine?
The InChIKey is QOZBIDZFTUCMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c16-15(17,18)24-13-6-4-12(5-7-13)23-14(19-20-21-23)25-11-10-22-8-2-1-3-9-22/h4-7H,1-3,8-11H2.
What are the key properties of 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine?
1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine has a molecular weight of 373.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine is sourced from PubChem (CID 8894975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).