1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine

C15H23F3N2 — CID 88878018

IUPAC1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
SMILESC=C/C(CN1CCNC(C)C1)=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-5-13(10-20-7-6-19-12(4)9-20)14(8-11(2)3)15(16,17)18/h5,8,12,19H,1,6-7,9-10H2,2-4H3/b14-13-
InChIKeyKOTSTBNADLOPDU-YPKPFQOOSA-N
MW288.36 g/mol
LogP3.29
Rot. Bonds4

About 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine

1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine (PubChem CID 88878018) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
PubChem CID88878018
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
SMILESC=C/C(CN1CCNC(C)C1)=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-5-13(10-20-7-6-19-12(4)9-20)14(8-11(2)3)15(16,17)18/h5,8,12,19H,1,6-7,9-10H2,2-4H3/b14-13-
InChIKeyKOTSTBNADLOPDU-YPKPFQOOSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine?
The IUPAC name of 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine (CID 88878018) is 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine?
The canonical SMILES for 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine is C=C/C(CN1CCNC(C)C1)=C(\C=C(C)C)C(F)(F)F.
What is the InChIKey of 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine?
The InChIKey is KOTSTBNADLOPDU-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-5-13(10-20-7-6-19-12(4)9-20)14(8-11(2)3)15(16,17)18/h5,8,12,19H,1,6-7,9-10H2,2-4H3/b14-13-.
What are the key properties of 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine?
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine has a molecular weight of 288.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine is sourced from PubChem (CID 88878018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).