(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone

C13H16Cl2N2O — CID 65461126

IUPAC(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)8-16-5-6-17(13)12(18)10-4-3-9(14)7-11(10)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyYIUAXJCYYVEVRF-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.82
Rot. Bonds1

About (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone

(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 65461126) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID65461126
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-13(2)8-16-5-6-17(13)12(18)10-4-3-9(14)7-11(10)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyYIUAXJCYYVEVRF-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

(2-chloro-4-fluorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461519
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 82883411
(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677145
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461122
(4-chloro-1H-pyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462115
(4-chlorophenyl)-(2,2-dimethyl-1,4-diazepan-1-yl)methanone
CID 82247007
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(2,2-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 65462539
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 115273119
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 65460537
3-(2,2-dimethylpiperazine-1-carbonyl)benzamide
CID 65462532
2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462739

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone (CID 65461126) is (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is YIUAXJCYYVEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-13(2)8-16-5-6-17(13)12(18)10-4-3-9(14)7-11(10)15/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone?
(2,4-dichlorophenyl)-(2,2-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 (2,4-dichlorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65461126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).