3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol

C24H25N3O — CID 90656711

IUPAC3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2
InChIKeyLGZBUKYZDPMWQV-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.39
Rot. Bonds4

About 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol

3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol (PubChem CID 90656711) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol
PubChem CID90656711
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc45)CC3)c2c1
InChIInChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2
InChIKeyLGZBUKYZDPMWQV-UHFFFAOYSA-N
XLogP4.39
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol (CID 90656711) is 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(CCN3CCN(c4cccc5ccccc45)CC3)c2c1.
What is the InChIKey of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol?
The InChIKey is LGZBUKYZDPMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2.
What are the key properties of 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol?
3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol has a molecular weight of 371.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1H-indol-5-ol is sourced from PubChem (CID 90656711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).