3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine

C15H19F3N6 — CID 66654385

IUPAC3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCC1(C)CN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C15H19F3N6/c1-14(2)10-23(7-6-19-14)9-13-20-21-22-24(13)12-5-3-4-11(8-12)15(16,17)18/h3-5,8,19H,6-7,9-10H2,1-2H3
InChIKeyGVYYTVLGTSHUHH-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.86
Rot. Bonds3

About 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine

3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 66654385) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
PubChem CID66654385
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCC1(C)CN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C15H19F3N6/c1-14(2)10-23(7-6-19-14)9-13-20-21-22-24(13)12-5-3-4-11(8-12)15(16,17)18/h3-5,8,19H,6-7,9-10H2,1-2H3
InChIKeyGVYYTVLGTSHUHH-UHFFFAOYSA-N
XLogP1.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 56600336
4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 118319174
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 56599941
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30938156
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834
1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 34127088
1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
CID 96668613

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (CID 66654385) is 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is CC1(C)CN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is GVYYTVLGTSHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-14(2)10-23(7-6-19-14)9-13-20-21-22-24(13)12-5-3-4-11(8-12)15(16,17)18/h3-5,8,19H,6-7,9-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 340.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 66654385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).