4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

C20H27N3O — CID 763987

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-21(2)18-10-8-17(9-11-18)16-22-12-14-23(15-13-22)19-6-4-5-7-20(19)24-3/h4-11H,12-16H2,1-3H3
InChIKeyCLAVJIVZXNSTCS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.08
Rot. Bonds5

About 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 763987) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID763987
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H27N3O/c1-21(2)18-10-8-17(9-11-18)16-22-12-14-23(15-13-22)19-6-4-5-7-20(19)24-3/h4-11H,12-16H2,1-3H3
InChIKeyCLAVJIVZXNSTCS-UHFFFAOYSA-N
XLogP3.08
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (CID 763987) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is COc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is CLAVJIVZXNSTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-21(2)18-10-8-17(9-11-18)16-22-12-14-23(15-13-22)19-6-4-5-7-20(19)24-3/h4-11H,12-16H2,1-3H3.
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 325.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).