4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline

C15H25N3O — CID 115229889

IUPAC4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
SMILESCCOc1ccc(N(C)CN2CCNCC2)cc1C
InChIInChI=1S/C15H25N3O/c1-4-19-15-6-5-14(11-13(15)2)17(3)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyGBTMAHYPUWLEPC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.69
Rot. Bonds5

About 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline

4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline (PubChem CID 115229889) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
PubChem CID115229889
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
SMILESCCOc1ccc(N(C)CN2CCNCC2)cc1C
InChIInChI=1S/C15H25N3O/c1-4-19-15-6-5-14(11-13(15)2)17(3)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeyGBTMAHYPUWLEPC-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
CID 82296699
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229855
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
3-chloro-4-fluoro-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229905
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline (CID 115229889) is 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline is CCOc1ccc(N(C)CN2CCNCC2)cc1C.
What is the InChIKey of 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline?
The InChIKey is GBTMAHYPUWLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-19-15-6-5-14(11-13(15)2)17(3)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3.
What are the key properties of 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline?
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline has a molecular weight of 263.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 115229889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).