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

C21H26N2O2 — CID 17471283

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C
InChIInChI=1S/C21H26N2O2/c1-15-6-5-7-19(17(15)3)22-10-12-23(13-11-22)21(24)18-9-8-16(2)20(14-18)25-4/h5-9,14H,10-13H2,1-4H3
InChIKeyPLKCTUCUVHIOJB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds3

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

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 17471283) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID17471283
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C
InChIInChI=1S/C21H26N2O2/c1-15-6-5-7-19(17(15)3)22-10-12-23(13-11-22)21(24)18-9-8-16(2)20(14-18)25-4/h5-9,14H,10-13H2,1-4H3
InChIKeyPLKCTUCUVHIOJB-UHFFFAOYSA-N
XLogP3.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27259483
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(4-chloro-2-methoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 71822590
6-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053129
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
1,3-benzothiazol-6-yl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102399

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 17471283) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is PLKCTUCUVHIOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-5-7-19(17(15)3)22-10-12-23(13-11-22)21(24)18-9-8-16(2)20(14-18)25-4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 17471283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).