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

C14H28F2N2O — CID 176926450

IUPACethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
SMILESCC.CCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C12H22F2N2O.C2H6/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyYVPMZLJYIASUEA-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.32
Rot. Bonds5

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

ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine (PubChem CID 176926450) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
PubChem CID176926450
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Nameethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
SMILESCC.CCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C12H22F2N2O.C2H6/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyYVPMZLJYIASUEA-UHFFFAOYSA-N
XLogP2.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 177009704
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
CID 156559157
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
CID 59049794
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-(6-ethoxyhexyl)-3-methylimidazolidine
CID 140684108
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine (CID 176926450) is ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine is CC.CCOCC1(CN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
The InChIKey is YVPMZLJYIASUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O.C2H6/c1-3-17-10-11(8-12(11,13)14)9-16-6-4-15(2)5-7-16;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine?
ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine has a molecular weight of 278.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 176926450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).