[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C20H24N2O2 — CID 113075511

IUPAC[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-17(14-16(15)2)21-10-12-22(13-11-21)20(23)18-6-4-5-7-19(18)24-3/h4-9,14H,10-13H2,1-3H3
InChIKeyTUQDFLFLIFGXRV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.27
Rot. Bonds3

About [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 113075511) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID113075511
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-17(14-16(15)2)21-10-12-22(13-11-21)20(23)18-6-4-5-7-19(18)24-3/h4-9,14H,10-13H2,1-3H3
InChIKeyTUQDFLFLIFGXRV-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2-bromophenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075509
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 113075511) is [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2ccc(C)c(C)c2)CC1.
What is the InChIKey of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is TUQDFLFLIFGXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-9-17(14-16(15)2)21-10-12-22(13-11-21)20(23)18-6-4-5-7-19(18)24-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 113075511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).