1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine

C11H20F2N2O — CID 176568648

IUPAC1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C11H20F2N2O/c1-14-3-5-15(6-4-14)8-10(9-16-2)7-11(10,12)13/h3-9H2,1-2H3
InChIKeyHXEYMKGVORGNBK-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.91
Rot. Bonds4

About 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine

1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine (PubChem CID 176568648) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
PubChem CID176568648
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
SMILESCOCC1(CN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C11H20F2N2O/c1-14-3-5-15(6-4-14)8-10(9-16-2)7-11(10,12)13/h3-9H2,1-2H3
InChIKeyHXEYMKGVORGNBK-UHFFFAOYSA-N
XLogP0.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine
CID 130418448
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
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine;ethane
CID 169228774
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperidine
CID 169228775
(3S)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169254751
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
(3R)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169255717
4-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169255737
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 170601860
4,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 172328349

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine (CID 176568648) is 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine is COCC1(CN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
The InChIKey is HXEYMKGVORGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-14-3-5-15(6-4-14)8-10(9-16-2)7-11(10,12)13/h3-9H2,1-2H3.
What are the key properties of 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine?
1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine has a molecular weight of 234.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 176568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).