(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone

C13H16Cl2N2O — CID 79015493

IUPAC(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)8-17(6-5-16-13)12(18)9-3-4-10(14)11(15)7-9/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyOOMFYECFXGMFAE-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.82
Rot. Bonds1

About (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone

(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 79015493) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID79015493
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)8-17(6-5-16-13)12(18)9-3-4-10(14)11(15)7-9/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyOOMFYECFXGMFAE-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(4-bromo-3-methylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 112706000
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 79014932
(3,3-dimethylpiperazin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 79507363
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
(2-bromo-5-chlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 113248341
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone (CID 79015493) is (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is OOMFYECFXGMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-13(2)8-17(6-5-16-13)12(18)9-3-4-10(14)11(15)7-9/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone?
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 287.19 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79015493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).