ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine

C14H23F3N2 — CID 143734563

IUPACethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCNCC1)C(F)(F)F.CC
InChIInChI=1S/C12H17F3N2.C2H6/c1-3-11(12(13,14)15)5-4-10(2)17-8-6-16-7-9-17;1-2/h3-5,16H,1,6-9H2,2H3;1-2H3/b10-4+,11-5+;
InChIKeyUATNHCHVLRFTMD-DVHWKNMOSA-N
MW276.35 g/mol
LogP3.50
Rot. Bonds3

About ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine

ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine (PubChem CID 143734563) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Nameethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
PubChem CID143734563
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Nameethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCNCC1)C(F)(F)F.CC
InChIInChI=1S/C12H17F3N2.C2H6/c1-3-11(12(13,14)15)5-4-10(2)17-8-6-16-7-9-17;1-2/h3-5,16H,1,6-9H2,2H3;1-2H3/b10-4+,11-5+;
InChIKeyUATNHCHVLRFTMD-DVHWKNMOSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-piperazin-1-ylbut-2-en-1-imine
CID 142245533
ethene;1-piperazin-1-ylethanone
CID 145071339
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 137459978
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 168939199
2,2,2-trifluoro-N-methylidene-N'-[(Z)-1-oxo-1-piperazin-1-ylbut-2-en-2-yl]ethanimidamide
CID 166981914
sulfanylidenemethanone;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 175551342
1-(1,4-diazepan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 50944168
1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448
2,2-dimethyl-3-piperazin-1-ylbut-3-enenitrile;ethane
CID 178167002

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine (CID 143734563) is ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine is C=C/C(=C\C=C(/C)N1CCNCC1)C(F)(F)F.CC.
What is the InChIKey of ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The InChIKey is UATNHCHVLRFTMD-DVHWKNMOSA-N. The full InChI is InChI=1S/C12H17F3N2.C2H6/c1-3-11(12(13,14)15)5-4-10(2)17-8-6-16-7-9-17;1-2/h3-5,16H,1,6-9H2,2H3;1-2H3/b10-4+,11-5+;.
What are the key properties of ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine has a molecular weight of 276.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 143734563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).