(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone

C21H26N2O3 — CID 1262765

IUPAC(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)20(15)22-10-12-23(13-11-22)21(24)17-8-9-18(25-3)19(14-17)26-4/h5-9,14H,10-13H2,1-4H3
InChIKeyWHZPUPZTNKAMOJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 1262765) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID1262765
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC
InChIInChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)20(15)22-10-12-23(13-11-22)21(24)17-8-9-18(25-3)19(14-17)26-4/h5-9,14H,10-13H2,1-4H3
InChIKeyWHZPUPZTNKAMOJ-UHFFFAOYSA-N
XLogP3.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone (CID 1262765) is (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is WHZPUPZTNKAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-5-7-16(2)20(15)22-10-12-23(13-11-22)21(24)17-8-9-18(25-3)19(14-17)26-4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).