3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline

C15H25N3O — CID 43174249

IUPAC3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
SMILESCCCN1CCN(CCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-2-6-17-7-9-18(10-8-17)11-12-19-15-5-3-4-14(16)13-15/h3-5,13H,2,6-12,16H2,1H3
InChIKeyCFTGCTLKFWMFJZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.68
Rot. Bonds6

About 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline

3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline (PubChem CID 43174249) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
PubChem CID43174249
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
SMILESCCCN1CCN(CCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H25N3O/c1-2-6-17-7-9-18(10-8-17)11-12-19-15-5-3-4-14(16)13-15/h3-5,13H,2,6-12,16H2,1H3
InChIKeyCFTGCTLKFWMFJZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774777
3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline
CID 43581101
1-(3-aminophenoxy)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 43364505
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
3-(3-propoxypropoxy)aniline
CID 43247836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline (CID 43174249) is 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline is CCCN1CCN(CCOc2cccc(N)c2)CC1.
What is the InChIKey of 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline?
The InChIKey is CFTGCTLKFWMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-6-17-7-9-18(10-8-17)11-12-19-15-5-3-4-14(16)13-15/h3-5,13H,2,6-12,16H2,1H3.
What are the key properties of 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline?
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline is sourced from PubChem (CID 43174249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).