4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride

C16H23Cl3N2O — CID 120572031

IUPAC4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1C.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-11-12(2)20(9-8-19-11)16(21)5-3-4-13-6-7-14(17)15(18)10-13;/h6-7,10-12,19H,3-5,8-9H2,1-2H3;1H
InChIKeyMNBWURUVQBFEAP-UHFFFAOYSA-N
MW365.73 g/mol
LogP3.95
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride

4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 120572031) has the molecular formula C16H23Cl3N2O and a molecular weight of 365.73 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID120572031
Molecular FormulaC16H23Cl3N2O
Molecular Weight365.73 g/mol
Exact Mass364.09
IUPAC Name4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1C.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-11-12(2)20(9-8-19-11)16(21)5-3-4-13-6-7-14(17)15(18)10-13;/h6-7,10-12,19H,3-5,8-9H2,1-2H3;1H
InChIKeyMNBWURUVQBFEAP-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
3-(4-bromo-3-methylphenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 120571442
2-[(3-chlorophenyl)methylsulfanyl]-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120570751
1-(2,3-dimethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120572423
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
4-(2-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572545
2-(4-chloro-3-methylphenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572237
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545173
1-(2,3-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 120571813
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride (CID 120572031) is 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride is CC1NCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1C.Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is MNBWURUVQBFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O.ClH/c1-11-12(2)20(9-8-19-11)16(21)5-3-4-13-6-7-14(17)15(18)10-13;/h6-7,10-12,19H,3-5,8-9H2,1-2H3;1H.
What are the key properties of 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride?
4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 365.73 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120572031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).