4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline

C15H25N3O — CID 117413761

IUPAC4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
SMILESCOc1ccc(N(C)C)cc1CCN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-17(2)14-4-5-15(19-3)13(12-14)6-9-18-10-7-16-8-11-18/h4-5,12,16H,6-11H2,1-3H3
InChIKeyOVLKOYJUPJSFID-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.21
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline

4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline (PubChem CID 117413761) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
PubChem CID117413761
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
SMILESCOc1ccc(N(C)C)cc1CCN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-17(2)14-4-5-15(19-3)13(12-14)6-9-18-10-7-16-8-11-18/h4-5,12,16H,6-11H2,1-3H3
InChIKeyOVLKOYJUPJSFID-UHFFFAOYSA-N
XLogP1.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline (CID 117413761) is 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline is COc1ccc(N(C)C)cc1CCN1CCNCC1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline?
The InChIKey is OVLKOYJUPJSFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)14-4-5-15(19-3)13(12-14)6-9-18-10-7-16-8-11-18/h4-5,12,16H,6-11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline?
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline has a molecular weight of 263.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 117413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).