1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine

C13H19F3N2 — CID 144888887

IUPAC1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
SMILESC=C(CN1CCNCC1)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-4-5-12(13(14,15)16)11(2)10-18-8-6-17-7-9-18/h3-5,17H,2,6-10H2,1H3/b4-3-,12-5+
InChIKeyKBWBNOGOSSEYLN-IVNKHWRPSA-N
MW260.30 g/mol
LogP2.51
Rot. Bonds4

About 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine

1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine (PubChem CID 144888887) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
PubChem CID144888887
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
SMILESC=C(CN1CCNCC1)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-4-5-12(13(14,15)16)11(2)10-18-8-6-17-7-9-18/h3-5,17H,2,6-10H2,1H3/b4-3-,12-5+
InChIKeyKBWBNOGOSSEYLN-IVNKHWRPSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The IUPAC name of 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine (CID 144888887) is 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine.
What is the SMILES notation for 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The canonical SMILES for 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine is C=C(CN1CCNCC1)/C(=C\C=C/C)C(F)(F)F.
What is the InChIKey of 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The InChIKey is KBWBNOGOSSEYLN-IVNKHWRPSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-4-5-12(13(14,15)16)11(2)10-18-8-6-17-7-9-18/h3-5,17H,2,6-10H2,1H3/b4-3-,12-5+.
What are the key properties of 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine has a molecular weight of 260.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine is sourced from PubChem (CID 144888887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).