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

C14H21F3N2 — CID 144888846

IUPAC1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
SMILESC=C(CN1CCNCC1)/C(=C\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-11(2)9-13(14(15,16)17)12(3)10-19-7-5-18-6-8-19/h4,9,18H,3,5-8,10H2,1-2H3/b11-4-,13-9+
InChIKeyXZOMVPYMQNAYEK-QVGMEQOVSA-N
MW274.33 g/mol
LogP2.90
Rot. Bonds4

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

1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine (PubChem CID 144888846) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
PubChem CID144888846
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
SMILESC=C(CN1CCNCC1)/C(=C\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-11(2)9-13(14(15,16)17)12(3)10-19-7-5-18-6-8-19/h4,9,18H,3,5-8,10H2,1-2H3/b11-4-,13-9+
InChIKeyXZOMVPYMQNAYEK-QVGMEQOVSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
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-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The IUPAC name of 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine (CID 144888846) is 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine.
What is the SMILES notation for 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The canonical SMILES for 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine is C=C(CN1CCNCC1)/C(=C\C(C)=C/C)C(F)(F)F.
What is the InChIKey of 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
The InChIKey is XZOMVPYMQNAYEK-QVGMEQOVSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-11(2)9-13(14(15,16)17)12(3)10-19-7-5-18-6-8-19/h4,9,18H,3,5-8,10H2,1-2H3/b11-4-,13-9+.
What are the key properties of 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine?
1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine has a molecular weight of 274.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine is sourced from PubChem (CID 144888846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).