(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone

C11H18F2N2O — CID 129261421

IUPAC(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3
InChIKeyZCBXJVAZZKMTSI-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.20
Rot. Bonds2

About (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone

(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 129261421) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID129261421
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2(F)F)CC1
InChIInChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3
InChIKeyZCBXJVAZZKMTSI-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
Cyclopropyl(4-ethylpiperazin-1-yl)methanone
CID 5151632
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505225
3,3-Dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 4634576
3,3-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 45505205
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 776750
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 71782702
Cyclopropyl(4-(2,2,2-trifluoroethyl)piperazin-1-yl)methanone hydrochloride
CID 71782703
(2-Methylcyclopropyl)-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone
CID 72115548
(2R)-3,3-difluoro-2-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 129349183
4,4,4-Trifluoro-1-(2,4,6-trimethylpiperazin-1-yl)butan-1-one
CID 132283119
1-(4-Ethylpiperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 3650712

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone (CID 129261421) is (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2(C)CC2(F)F)CC1.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ZCBXJVAZZKMTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-3-14-4-6-15(7-5-14)9(16)10(2)8-11(10,12)13/h3-8H2,1-2H3.
What are the key properties of (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone?
(2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 232.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 129261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).