1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine

C17H23F3N6 — CID 56600336

IUPAC1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CC1(C)C
InChIInChI=1S/C17H23F3N6/c1-4-25-9-8-24(12-16(25,2)3)11-15-21-22-23-26(15)14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,4,8-9,11-12H2,1-3H3
InChIKeyJEXMUDZORSVTBL-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.60
Rot. Bonds4

About 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine

1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 56600336) has the molecular formula C17H23F3N6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
PubChem CID56600336
Molecular FormulaC17H23F3N6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CC1(C)C
InChIInChI=1S/C17H23F3N6/c1-4-25-9-8-24(12-16(25,2)3)11-15-21-22-23-26(15)14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,4,8-9,11-12H2,1-3H3
InChIKeyJEXMUDZORSVTBL-UHFFFAOYSA-N
XLogP2.60
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 66654385
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
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834
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-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30938156
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
2-ethyl-1-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 30937464

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (CID 56600336) is 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is CCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is JEXMUDZORSVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6/c1-4-25-9-8-24(12-16(25,2)3)11-15-21-22-23-26(15)14-7-5-6-13(10-14)17(18,19)20/h5-7,10H,4,8-9,11-12H2,1-3H3.
What are the key properties of 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 368.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 56600336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).