[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone

C16H20F2N2O — CID 120572434

IUPAC[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)C2CC2c2ccc(F)cc2F)C1C
InChIInChI=1S/C16H20F2N2O/c1-9-10(2)20(6-5-19-9)16(21)14-8-13(14)12-4-3-11(17)7-15(12)18/h3-4,7,9-10,13-14,19H,5-6,8H2,1-2H3
InChIKeyAZBYPBMWYCOXNB-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.28
Rot. Bonds2

About [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone

[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120572434) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120572434
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)C2CC2c2ccc(F)cc2F)C1C
InChIInChI=1S/C16H20F2N2O/c1-9-10(2)20(6-5-19-9)16(21)14-8-13(14)12-4-3-11(17)7-15(12)18/h3-4,7,9-10,13-14,19H,5-6,8H2,1-2H3
InChIKeyAZBYPBMWYCOXNB-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120571015
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
(2S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 125119691
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
(3S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132387
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216768
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702124

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120572434) is [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)C2CC2c2ccc(F)cc2F)C1C.
What is the InChIKey of [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is AZBYPBMWYCOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-9-10(2)20(6-5-19-9)16(21)14-8-13(14)12-4-3-11(17)7-15(12)18/h3-4,7,9-10,13-14,19H,5-6,8H2,1-2H3.
What are the key properties of [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone?
[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 294.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).