(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C13H16Cl2N2O — CID 63910582

IUPAC(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-6-16-7-9(2)17(8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyZPTZPPLARRZVOM-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.82
Rot. Bonds1

About (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 63910582) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID63910582
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-6-16-7-9(2)17(8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyZPTZPPLARRZVOM-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

(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910775
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 63911957
(3,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63911168
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2,5-dichlorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82250052
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(2,6-dimethylpiperazin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 63909800

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 63910582) is (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is ZPTZPPLARRZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-6-16-7-9(2)17(8)13(18)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(2,5-dichlorophenyl)-(2,6-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 (2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63910582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).