7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine

C15H22N4O — CID 67987209

IUPAC7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine
SMILESCN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14/h2-5,17H,6-11,16H2,1H3
InChIKeyVTSFSMJZCIYULP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.38
Rot. Bonds4

About 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine

7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine (PubChem CID 67987209) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine.

Molecular Properties

Compound Name7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine
PubChem CID67987209
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine
SMILESCN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1
InChIInChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14/h2-5,17H,6-11,16H2,1H3
InChIKeyVTSFSMJZCIYULP-UHFFFAOYSA-N
XLogP1.38
TPSA57.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine?
The IUPAC name of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine (CID 67987209) is 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine.
What is the SMILES notation for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine?
The canonical SMILES for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine is CN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1.
What is the InChIKey of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine?
The InChIKey is VTSFSMJZCIYULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14/h2-5,17H,6-11,16H2,1H3.
What are the key properties of 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine?
7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine is sourced from PubChem (CID 67987209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).