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

C25H29N3O — CID 71478784

IUPAC4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccccc3-c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H29N3O/c1-26(2)21-10-8-20(9-11-21)24-6-4-5-7-25(24)28-18-16-27(17-19-28)22-12-14-23(29-3)15-13-22/h4-15H,16-19H2,1-3H3
InChIKeyOQYGGSJJIORFOA-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.75
Rot. Bonds5

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

4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline (PubChem CID 71478784) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
PubChem CID71478784
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccccc3-c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H29N3O/c1-26(2)21-10-8-20(9-11-21)24-6-4-5-7-25(24)28-18-16-27(17-19-28)22-12-14-23(29-3)15-13-22/h4-15H,16-19H2,1-3H3
InChIKeyOQYGGSJJIORFOA-UHFFFAOYSA-N
XLogP4.75
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
CID 71478842
4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline
CID 53232375
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
CID 101382430
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 70586248
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
1-(4-methoxyphenyl)piperidine
CID 10130315
2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 58245797
1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400771

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline (CID 71478784) is 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline is COc1ccc(N2CCN(c3ccccc3-c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The InChIKey is OQYGGSJJIORFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-26(2)21-10-8-20(9-11-21)24-6-4-5-7-25(24)28-18-16-27(17-19-28)22-12-14-23(29-3)15-13-22/h4-15H,16-19H2,1-3H3.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline has a molecular weight of 387.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 71478784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).