1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine

C15H19F3N2 — CID 117269449

IUPAC1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine
SMILESC=C(Cc1cccc(C(F)(F)F)c1)CN1CCNCC1
InChIInChI=1S/C15H19F3N2/c1-12(11-20-7-5-19-6-8-20)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,10,19H,1,5-9,11H2
InChIKeyISEAIXVUANYLEE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine

1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine (PubChem CID 117269449) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine
PubChem CID117269449
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine
SMILESC=C(Cc1cccc(C(F)(F)F)c1)CN1CCNCC1
InChIInChI=1S/C15H19F3N2/c1-12(11-20-7-5-19-6-8-20)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,10,19H,1,5-9,11H2
InChIKeyISEAIXVUANYLEE-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]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-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-1,4-diazepane
CID 90760326
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
1-[2-(3-methylphenyl)prop-2-enyl]piperazine
CID 82509183
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
1-(4-acetyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134061591
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
1-(2-benzylprop-2-enyl)piperidine
CID 53360886

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine (CID 117269449) is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine is C=C(Cc1cccc(C(F)(F)F)c1)CN1CCNCC1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine?
The InChIKey is ISEAIXVUANYLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-12(11-20-7-5-19-6-8-20)9-13-3-2-4-14(10-13)15(16,17)18/h2-4,10,19H,1,5-9,11H2.
What are the key properties of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine?
1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine has a molecular weight of 284.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine is sourced from PubChem (CID 117269449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).