7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine

C17H26N4O — CID 67987192

IUPAC7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
SMILESNc1ccc(OCCNCCN2CCCCC2)c2[nH]ccc12
InChIInChI=1S/C17H26N4O/c18-15-4-5-16(17-14(15)6-7-20-17)22-13-9-19-8-12-21-10-2-1-3-11-21/h4-7,19-20H,1-3,8-13,18H2
InChIKeyMGFPZOKODWIELU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds7

About 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine

7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine (PubChem CID 67987192) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine.

Molecular Properties

Compound Name7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
PubChem CID67987192
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
SMILESNc1ccc(OCCNCCN2CCCCC2)c2[nH]ccc12
InChIInChI=1S/C17H26N4O/c18-15-4-5-16(17-14(15)6-7-20-17)22-13-9-19-8-12-21-10-2-1-3-11-21/h4-7,19-20H,1-3,8-13,18H2
InChIKeyMGFPZOKODWIELU-UHFFFAOYSA-N
XLogP2.20
TPSA66.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The IUPAC name of 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine (CID 67987192) is 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine.
What is the SMILES notation for 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The canonical SMILES for 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine is Nc1ccc(OCCNCCN2CCCCC2)c2[nH]ccc12.
What is the InChIKey of 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The InChIKey is MGFPZOKODWIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c18-15-4-5-16(17-14(15)6-7-20-17)22-13-9-19-8-12-21-10-2-1-3-11-21/h4-7,19-20H,1-3,8-13,18H2.
What are the key properties of 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine has a molecular weight of 302.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine is sourced from PubChem (CID 67987192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).