(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine

C14H21F3N2 — CID 167054492

IUPAC(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine
SMILESC=C/C(CN1CCN(C)[C@H](C)C1)=C(\C=C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11H,1-2,7-10H2,3-4H3/b13-12-/t11-/m1/s1
InChIKeyOYJPQMDDNJCUEG-LPJIALBHSA-N
MW274.33 g/mol
LogP2.85
Rot. Bonds4

About (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine

(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine (PubChem CID 167054492) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine
PubChem CID167054492
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine
SMILESC=C/C(CN1CCN(C)[C@H](C)C1)=C(\C=C)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11H,1-2,7-10H2,3-4H3/b13-12-/t11-/m1/s1
InChIKeyOYJPQMDDNJCUEG-LPJIALBHSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine (CID 167054492) is (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine is C=C/C(CN1CCN(C)[C@H](C)C1)=C(\C=C)C(F)(F)F.
What is the InChIKey of (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine?
The InChIKey is OYJPQMDDNJCUEG-LPJIALBHSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11H,1-2,7-10H2,3-4H3/b13-12-/t11-/m1/s1.
What are the key properties of (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine?
(2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine has a molecular weight of 274.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2Z)-2-ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 167054492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).