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

C16H25F3N2 — CID 129260193

IUPAC2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCN(C(C)C)C(C)C1)C(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-6-15(16(17,18)19)8-7-13(4)20-9-10-21(12(2)3)14(5)11-20/h6-8,12,14H,1,9-11H2,2-5H3/b13-7+,15-8+
InChIKeyUJHXURARGGDTEZ-KUADPSCUSA-N
MW302.38 g/mol
LogP3.98
Rot. Bonds4

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

2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine (PubChem CID 129260193) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
PubChem CID129260193
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(=C\C=C(/C)N1CCN(C(C)C)C(C)C1)C(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-6-15(16(17,18)19)8-7-13(4)20-9-10-21(12(2)3)14(5)11-20/h6-8,12,14H,1,9-11H2,2-5H3/b13-7+,15-8+
InChIKeyUJHXURARGGDTEZ-KUADPSCUSA-N
XLogP3.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine (CID 129260193) is 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine is C=C/C(=C\C=C(/C)N1CCN(C(C)C)C(C)C1)C(F)(F)F.
What is the InChIKey of 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
The InChIKey is UJHXURARGGDTEZ-KUADPSCUSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-6-15(16(17,18)19)8-7-13(4)20-9-10-21(12(2)3)14(5)11-20/h6-8,12,14H,1,9-11H2,2-5H3/b13-7+,15-8+.
What are the key properties of 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine?
2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine has a molecular weight of 302.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 129260193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).