1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone

C12H20F2N2O2 — CID 172588282

IUPAC1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
SMILESCOC[C@]1(CN2CCN(C(C)=O)CC2)CC1(F)F
InChIInChI=1S/C12H20F2N2O2/c1-10(17)16-5-3-15(4-6-16)8-11(9-18-2)7-12(11,13)14/h3-9H2,1-2H3/t11-/m1/s1
InChIKeyNJBLFECUJITTJO-LLVKDONJSA-N
MW262.30 g/mol
LogP0.82
Rot. Bonds4

About 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone

1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone (PubChem CID 172588282) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
PubChem CID172588282
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
SMILESCOC[C@]1(CN2CCN(C(C)=O)CC2)CC1(F)F
InChIInChI=1S/C12H20F2N2O2/c1-10(17)16-5-3-15(4-6-16)8-11(9-18-2)7-12(11,13)14/h3-9H2,1-2H3/t11-/m1/s1
InChIKeyNJBLFECUJITTJO-LLVKDONJSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2,2,2-Trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
CID 118909980
1-(6-Tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone
CID 121277849
(4-Ethylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 124199612
[(1S)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 129261388
(2,2-Difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
CID 129261421
[(1R)-2,2-difluoro-1-methylcyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 137490088
Ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
CID 145025742
1-(Methoxymethyl)-1-(trifluoromethyl)cyclopropane;1-piperidin-1-ylbutan-1-one
CID 164604055
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588202
1-[[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568648
1-[[1-(Methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350373

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone (CID 172588282) is 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone is COC[C@]1(CN2CCN(C(C)=O)CC2)CC1(F)F.
What is the InChIKey of 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is NJBLFECUJITTJO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-10(17)16-5-3-15(4-6-16)8-11(9-18-2)7-12(11,13)14/h3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 262.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 172588282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).