1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine

C7H12F2N2 — CID 130418379

IUPAC1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine
SMILESCN1CCN(/C(F)=C\F)CC1
InChIInChI=1S/C7H12F2N2/c1-10-2-4-11(5-3-10)7(9)6-8/h6H,2-5H2,1H3/b7-6-
InChIKeyVOPNXPWLKOFWJO-SREVYHEPSA-N
MW162.18 g/mol
LogP0.97
Rot. Bonds1

About 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine

1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine (PubChem CID 130418379) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine
PubChem CID130418379
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine
SMILESCN1CCN(/C(F)=C\F)CC1
InChIInChI=1S/C7H12F2N2/c1-10-2-4-11(5-3-10)7(9)6-8/h6H,2-5H2,1H3/b7-6-
InChIKeyVOPNXPWLKOFWJO-SREVYHEPSA-N
XLogP0.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
1,4-dimethylpiperazine;ethane
CID 91292414
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
(Z)-3-(4-methylpiperazin-1-yl)but-2-enenitrile
CID 66606958
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
13,14-dichloro-4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 154427970
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine (CID 130418379) is 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine is CN1CCN(/C(F)=C\F)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine?
The InChIKey is VOPNXPWLKOFWJO-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-10-2-4-11(5-3-10)7(9)6-8/h6H,2-5H2,1H3/b7-6-.
What are the key properties of 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine?
1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine has a molecular weight of 162.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine is sourced from PubChem (CID 130418379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).