[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C16H21Cl3N2O — CID 120570451

IUPAC[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1C.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/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;1H
InChIKeyWSJBPIIFNWHPLM-UHFFFAOYSA-N
MW363.72 g/mol
LogP3.73
Rot. Bonds2

About [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120570451) has the molecular formula C16H21Cl3N2O and a molecular weight of 363.72 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120570451
Molecular FormulaC16H21Cl3N2O
Molecular Weight363.72 g/mol
Exact Mass362.07
IUPAC Name[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1C.Cl
InChIInChI=1S/C16H20Cl2N2O.ClH/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;1H
InChIKeyWSJBPIIFNWHPLM-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 53.73
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-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729008
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97010771
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119466453
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120571015
[2-(2,4-dichlorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648874
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
2-[4-[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]thiomorpholin-3-yl]acetic acid
CID 119210294

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120570451) is [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1C.Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is WSJBPIIFNWHPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O.ClH/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;1H.
What are the key properties of [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 363.72 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120570451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).