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

C21H26N2O2 — CID 110398984

IUPAC(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-8-9-18(14-17(16)2)21(24)23-12-10-22(11-13-23)15-19-6-4-5-7-20(19)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyUVSPTJGARCGBDR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.27
Rot. Bonds4

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

(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 110398984) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID110398984
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-8-9-18(14-17(16)2)21(24)23-12-10-22(11-13-23)15-19-6-4-5-7-20(19)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyUVSPTJGARCGBDR-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17385004
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110398981
(3-chlorophenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 2927115
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
(4-bromo-3,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 27841153
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methanone
CID 19333465
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 31792217
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 110398984) is (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccccc1CN1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UVSPTJGARCGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-8-9-18(14-17(16)2)21(24)23-12-10-22(11-13-23)15-19-6-4-5-7-20(19)25-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110398984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).