1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine

C12H22F2N2O — CID 176926451

IUPAC1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
SMILESCCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C12H22F2N2O/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16/h3-10H2,1-2H3
InChIKeyJMPJJEISLLNQDX-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.30
Rot. Bonds5

About 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine

1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine (PubChem CID 176926451) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
PubChem CID176926451
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
SMILESCCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C12H22F2N2O/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16/h3-10H2,1-2H3
InChIKeyJMPJJEISLLNQDX-UHFFFAOYSA-N
XLogP1.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperazine
CID 130418397
1-[(3S)-1,2-difluoro-3-[(4R)-3,3,4,5,5,5-hexafluoropentan-2-yl]oxy-2-(trifluoromethyl)butyl]-4-methylpiperazine
CID 130418415
1-Methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine
CID 130418448
1-Methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine
CID 130418459
1-[1,2-Difluoro-2-(fluoromethyl)-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-4-(trifluoromethyl)piperazine;ethane
CID 145366151
[1-[(4-Methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 164878701
4,4-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170412690
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine
CID 170601560
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 170601860
4-[[1-(Ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine
CID 170601886
4,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 172328349

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine (CID 176926451) is 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine is CCOCC1(CN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The InChIKey is JMPJJEISLLNQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16/h3-10H2,1-2H3.
What are the key properties of 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine has a molecular weight of 248.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 176926451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).