1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C20H24N4O — CID 16673455

IUPAC1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc(C(O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3
InChIKeyYAQRESSNTZIOAU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.43
Rot. Bonds4

About 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 16673455) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID16673455
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc(C(O)CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3
InChIKeyYAQRESSNTZIOAU-UHFFFAOYSA-N
XLogP2.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 16673455) is 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is Cn1cc(C(O)CN2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is YAQRESSNTZIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-22-14-17(16-6-2-3-7-18(16)22)19(25)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14,19,25H,10-13,15H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 336.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 16673455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).