7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one

C26H31NO4 — CID 14982994

IUPAC7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C26H31NO4/c28-21-12-15-27(16-13-21)14-6-1-2-7-17-30-22-10-11-23-24(29)19-25(31-26(23)18-22)20-8-4-3-5-9-20/h3-5,8-11,18-19,21,28H,1-2,6-7,12-17H2
InChIKeyOXULVTWMNORDCF-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.86
Rot. Bonds9

About 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one

7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one (PubChem CID 14982994) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
PubChem CID14982994
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C26H31NO4/c28-21-12-15-27(16-13-21)14-6-1-2-7-17-30-22-10-11-23-24(29)19-25(31-26(23)18-22)20-8-4-3-5-9-20/h3-5,8-11,18-19,21,28H,1-2,6-7,12-17H2
InChIKeyOXULVTWMNORDCF-UHFFFAOYSA-N
XLogP4.86
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.86
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 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The IUPAC name of 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one (CID 14982994) is 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The canonical SMILES for 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCC(O)CC3)ccc12.
What is the InChIKey of 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The InChIKey is OXULVTWMNORDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c28-21-12-15-27(16-13-21)14-6-1-2-7-17-30-22-10-11-23-24(29)19-25(31-26(23)18-22)20-8-4-3-5-9-20/h3-5,8-11,18-19,21,28H,1-2,6-7,12-17H2.
What are the key properties of 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one has a molecular weight of 421.54 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).