4-[3-(4-methylpiperazin-1-yl)propoxy]aniline

C14H23N3O — CID 22124604

IUPAC4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
SMILESCN1CCN(CCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C14H23N3O/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKeyAHACBCCMXMDLCU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.29
Rot. Bonds5

About 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline

4-[3-(4-methylpiperazin-1-yl)propoxy]aniline (PubChem CID 22124604) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
PubChem CID22124604
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
SMILESCN1CCN(CCCOc2ccc(N)cc2)CC1
InChIInChI=1S/C14H23N3O/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKeyAHACBCCMXMDLCU-UHFFFAOYSA-N
XLogP1.29
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-butan-2-ylpiperazin-1-yl)propoxy]aniline
CID 62774979
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
4-[3-(3,3,4-trimethylpiperazin-1-yl)propoxy]aniline
CID 63602967
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 142712233
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline (CID 22124604) is 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline is CN1CCN(CCCOc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The InChIKey is AHACBCCMXMDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12,15H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline has a molecular weight of 249.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propoxy]aniline is sourced from PubChem (CID 22124604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).