4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine

C12H18F2N2 — CID 150487981

IUPAC4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
SMILESCC1CN(C2=CCC(F)(F)C=C2)CCN1C
InChIInChI=1S/C12H18F2N2/c1-10-9-16(8-7-15(10)2)11-3-5-12(13,14)6-4-11/h3-5,10H,6-9H2,1-2H3
InChIKeyHVERZFWIDIIUIH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.10
Rot. Bonds1

About 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine

4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine (PubChem CID 150487981) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
PubChem CID150487981
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
SMILESCC1CN(C2=CCC(F)(F)C=C2)CCN1C
InChIInChI=1S/C12H18F2N2/c1-10-9-16(8-7-15(10)2)11-3-5-12(13,14)6-4-11/h3-5,10H,6-9H2,1-2H3
InChIKeyHVERZFWIDIIUIH-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-Methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 123544546
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 129260193
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine (CID 150487981) is 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine is CC1CN(C2=CCC(F)(F)C=C2)CCN1C.
What is the InChIKey of 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine?
The InChIKey is HVERZFWIDIIUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-10-9-16(8-7-15(10)2)11-3-5-12(13,14)6-4-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine?
4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine has a molecular weight of 228.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine is sourced from PubChem (CID 150487981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).