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

C25H32N4O — CID 11795534

IUPAC3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C25H32N4O/c30-21-8-9-24-22(17-21)23(18-27-24)20-6-4-19(5-7-20)10-12-28-13-15-29(16-14-28)25-3-1-2-11-26-25/h1-3,8-9,11,17-20,27,30H,4-7,10,12-16H2
InChIKeyGQXBPSLBHRQMDR-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.75
Rot. Bonds5

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

3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol (PubChem CID 11795534) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol
PubChem CID11795534
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C25H32N4O/c30-21-8-9-24-22(17-21)23(18-27-24)20-6-4-19(5-7-20)10-12-28-13-15-29(16-14-28)25-3-1-2-11-26-25/h1-3,8-9,11,17-20,27,30H,4-7,10,12-16H2
InChIKeyGQXBPSLBHRQMDR-UHFFFAOYSA-N
XLogP4.75
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol?
The IUPAC name of 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol (CID 11795534) is 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol?
The canonical SMILES for 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1.
What is the InChIKey of 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol?
The InChIKey is GQXBPSLBHRQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c30-21-8-9-24-22(17-21)23(18-27-24)20-6-4-19(5-7-20)10-12-28-13-15-29(16-14-28)25-3-1-2-11-26-25/h1-3,8-9,11,17-20,27,30H,4-7,10,12-16H2.
What are the key properties of 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol?
3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol has a molecular weight of 404.56 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indol-5-ol is sourced from PubChem (CID 11795534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).