6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one

C23H33NO4 — CID 14983044

IUPAC6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one
SMILESCC(C)Cc1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1
InChIInChI=1S/C23H33NO4/c1-17(2)14-20-16-22(26)21-15-19(6-7-23(21)28-20)27-13-5-3-4-10-24-11-8-18(25)9-12-24/h6-7,15-18,25H,3-5,8-14H2,1-2H3
InChIKeySIQDVGDODFEIPG-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.00
Rot. Bonds9

About 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one

6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one (PubChem CID 14983044) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one.

Molecular Properties

Compound Name6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one
PubChem CID14983044
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one
SMILESCC(C)Cc1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1
InChIInChI=1S/C23H33NO4/c1-17(2)14-20-16-22(26)21-15-19(6-7-23(21)28-20)27-13-5-3-4-10-24-11-8-18(25)9-12-24/h6-7,15-18,25H,3-5,8-14H2,1-2H3
InChIKeySIQDVGDODFEIPG-UHFFFAOYSA-N
XLogP4.00
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one?
The IUPAC name of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one (CID 14983044) is 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one.
What is the SMILES notation for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one?
The canonical SMILES for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one is CC(C)Cc1cc(=O)c2cc(OCCCCCN3CCC(O)CC3)ccc2o1.
What is the InChIKey of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one?
The InChIKey is SIQDVGDODFEIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-17(2)14-20-16-22(26)21-15-19(6-7-23(21)28-20)27-13-5-3-4-10-24-11-8-18(25)9-12-24/h6-7,15-18,25H,3-5,8-14H2,1-2H3.
What are the key properties of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one?
6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one has a molecular weight of 387.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(2-methylpropyl)chromen-4-one is sourced from PubChem (CID 14983044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).