(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C21H26N2O3 — CID 1112844

IUPAC(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C21H26N2O3/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)21(24)20-18(25-2)9-6-10-19(20)26-3/h4-10H,11-15H2,1-3H3
InChIKeyTWVGFLFNMFBTHX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1112844) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1112844
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C21H26N2O3/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)21(24)20-18(25-2)9-6-10-19(20)26-3/h4-10H,11-15H2,1-3H3
InChIKeyTWVGFLFNMFBTHX-UHFFFAOYSA-N
XLogP2.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 1112844) is (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is TWVGFLFNMFBTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-7-4-5-8-17(16)15-22-11-13-23(14-12-22)21(24)20-18(25-2)9-6-10-19(20)26-3/h4-10H,11-15H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1112844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).