2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol

C16H24N4O2 — CID 67987210

IUPAC2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol
SMILESNc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12
InChIInChI=1S/C16H24N4O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21/h1-4,18,21H,5-12,17H2
InChIKeyTVANSONPKBRDNZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.74
Rot. Bonds6

About 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol (PubChem CID 67987210) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol
PubChem CID67987210
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol
SMILESNc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12
InChIInChI=1S/C16H24N4O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21/h1-4,18,21H,5-12,17H2
InChIKeyTVANSONPKBRDNZ-UHFFFAOYSA-N
XLogP0.74
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol (CID 67987210) is 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol is Nc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12.
What is the InChIKey of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol?
The InChIKey is TVANSONPKBRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21/h1-4,18,21H,5-12,17H2.
What are the key properties of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67987210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).