2,4,6-tri(piperidin-1-yl)quinolin-3-ol

C24H34N4O — CID 90969638

IUPAC2,4,6-tri(piperidin-1-yl)quinolin-3-ol
SMILESOc1c(N2CCCCC2)nc2ccc(N3CCCCC3)cc2c1N1CCCCC1
InChIInChI=1S/C24H34N4O/c29-23-22(27-14-6-2-7-15-27)20-18-19(26-12-4-1-5-13-26)10-11-21(20)25-24(23)28-16-8-3-9-17-28/h10-11,18,29H,1-9,12-17H2
InChIKeyDAGDBLNKWSNHKT-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.91
Rot. Bonds3

About 2,4,6-tri(piperidin-1-yl)quinolin-3-ol

2,4,6-tri(piperidin-1-yl)quinolin-3-ol (PubChem CID 90969638) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2,4,6-tri(piperidin-1-yl)quinolin-3-ol.

Molecular Properties

Compound Name2,4,6-tri(piperidin-1-yl)quinolin-3-ol
PubChem CID90969638
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2,4,6-tri(piperidin-1-yl)quinolin-3-ol
SMILESOc1c(N2CCCCC2)nc2ccc(N3CCCCC3)cc2c1N1CCCCC1
InChIInChI=1S/C24H34N4O/c29-23-22(27-14-6-2-7-15-27)20-18-19(26-12-4-1-5-13-26)10-11-21(20)25-24(23)28-16-8-3-9-17-28/h10-11,18,29H,1-9,12-17H2
InChIKeyDAGDBLNKWSNHKT-UHFFFAOYSA-N
XLogP4.91
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(piperidin-1-yl)quinolin-3-ol?
The IUPAC name of 2,4,6-tri(piperidin-1-yl)quinolin-3-ol (CID 90969638) is 2,4,6-tri(piperidin-1-yl)quinolin-3-ol.
What is the SMILES notation for 2,4,6-tri(piperidin-1-yl)quinolin-3-ol?
The canonical SMILES for 2,4,6-tri(piperidin-1-yl)quinolin-3-ol is Oc1c(N2CCCCC2)nc2ccc(N3CCCCC3)cc2c1N1CCCCC1.
What is the InChIKey of 2,4,6-tri(piperidin-1-yl)quinolin-3-ol?
The InChIKey is DAGDBLNKWSNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c29-23-22(27-14-6-2-7-15-27)20-18-19(26-12-4-1-5-13-26)10-11-21(20)25-24(23)28-16-8-3-9-17-28/h10-11,18,29H,1-9,12-17H2.
What are the key properties of 2,4,6-tri(piperidin-1-yl)quinolin-3-ol?
2,4,6-tri(piperidin-1-yl)quinolin-3-ol has a molecular weight of 394.56 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(piperidin-1-yl)quinolin-3-ol is sourced from PubChem (CID 90969638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).