1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine

C9H15F3N2 — CID 174261165

IUPAC1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
SMILESC=CCN1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2/c1-3-4-14-6-5-13(2)8(7-14)9(10,11)12/h3,8H,1,4-7H2,2H3
InChIKeyHOCCCMVMYUKGOG-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.35
Rot. Bonds2

About 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine

1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine (PubChem CID 174261165) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
PubChem CID174261165
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine
SMILESC=CCN1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2/c1-3-4-14-6-5-13(2)8(7-14)9(10,11)12/h3,8H,1,4-7H2,2H3
InChIKeyHOCCCMVMYUKGOG-UHFFFAOYSA-N
XLogP1.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
1-Methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
CID 129207765
1-Methyl-4-(1,2,2-trifluorobut-3-enyl)piperazine
CID 134531054
1-Methyl-4-(1,1,1,3,3-pentafluoropent-4-en-2-yl)piperazine
CID 134531055
1-But-2-enyl-4-(2,2,3,4,4,4-hexafluorobutyl)piperazine
CID 139714683
1-[(E)-3-fluoroprop-2-enyl]-4-methylpiperazine
CID 146499163
4-Methyl-1-prop-1-en-2-yl-2-(trifluoromethyl)piperazine
CID 163452306
2-(Difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
CID 166698660
(2S,3R)-2-ethenyl-1,3-dimethyl-4-(trifluoromethyl)piperazine
CID 166870882
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine (CID 174261165) is 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine is C=CCN1CCN(C)C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine?
The InChIKey is HOCCCMVMYUKGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-3-4-14-6-5-13(2)8(7-14)9(10,11)12/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine?
1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine has a molecular weight of 208.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 174261165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).