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

C16H21F3N6 — CID 118319174

IUPAC4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C16H21F3N6/c1-3-23-7-8-24(12(2)10-23)11-15-20-21-22-25(15)14-6-4-5-13(9-14)16(17,18)19/h4-6,9,12H,3,7-8,10-11H2,1-2H3
InChIKeyNONQHMVPNOSUTG-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.21
Rot. Bonds4

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

4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 118319174) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
PubChem CID118319174
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C16H21F3N6/c1-3-23-7-8-24(12(2)10-23)11-15-20-21-22-25(15)14-6-4-5-13(9-14)16(17,18)19/h4-6,9,12H,3,7-8,10-11H2,1-2H3
InChIKeyNONQHMVPNOSUTG-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
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
3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 66654385
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834
[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
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
3-[(4-ethyl-2-methylpiperazin-1-yl)methyl]benzoic acid
CID 122034179

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine (CID 118319174) is 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is CCN1CCN(Cc2nnnn2-c2cccc(C(F)(F)F)c2)C(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is NONQHMVPNOSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-3-23-7-8-24(12(2)10-23)11-15-20-21-22-25(15)14-6-4-5-13(9-14)16(17,18)19/h4-6,9,12H,3,7-8,10-11H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine?
4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 354.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 118319174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).