ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine

C15H23F3N2 — CID 144657307

IUPACethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine
SMILESCC.FC(F)(F)C1=C(CN2CCNCC2)CC=CC=C1
InChIInChI=1S/C13H17F3N2.C2H6/c14-13(15,16)12-5-3-1-2-4-11(12)10-18-8-6-17-7-9-18;1-2/h1-3,5,17H,4,6-10H2;1-2H3
InChIKeyFMUGXFMNOPHMOI-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.29
Rot. Bonds2

About ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine

ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine (PubChem CID 144657307) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine.

Molecular Properties

Compound Nameethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine
PubChem CID144657307
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nameethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine
SMILESCC.FC(F)(F)C1=C(CN2CCNCC2)CC=CC=C1
InChIInChI=1S/C13H17F3N2.C2H6/c14-13(15,16)12-5-3-1-2-4-11(12)10-18-8-6-17-7-9-18;1-2/h1-3,5,17H,4,6-10H2;1-2H3
InChIKeyFMUGXFMNOPHMOI-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-Methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 70148604
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
(2S,4Z,6Z)-1-(3,3-difluoropyrrolidin-1-yl)-N-methyl-3-methylideneocta-4,6-dien-2-amine
CID 132122123
(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 135160309

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine?
The IUPAC name of ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine (CID 144657307) is ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine.
What is the SMILES notation for ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine?
The canonical SMILES for ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine is CC.FC(F)(F)C1=C(CN2CCNCC2)CC=CC=C1.
What is the InChIKey of ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine?
The InChIKey is FMUGXFMNOPHMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.C2H6/c14-13(15,16)12-5-3-1-2-4-11(12)10-18-8-6-17-7-9-18;1-2/h1-3,5,17H,4,6-10H2;1-2H3.
What are the key properties of ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine?
ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine has a molecular weight of 288.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[2-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methyl]piperazine is sourced from PubChem (CID 144657307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).