6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one

C26H31NO4 — CID 14982961

IUPAC6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCC(O)C3)cc12
InChIInChI=1S/C26H31NO4/c28-21-11-8-15-27(19-21)14-6-1-2-7-16-30-22-12-13-25-23(17-22)24(29)18-26(31-25)20-9-4-3-5-10-20/h3-5,9-10,12-13,17-18,21,28H,1-2,6-8,11,14-16,19H2
InChIKeyHMQKIWOBTLZLLA-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.86
Rot. Bonds9

About 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one

6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one (PubChem CID 14982961) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
PubChem CID14982961
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCC(O)C3)cc12
InChIInChI=1S/C26H31NO4/c28-21-11-8-15-27(19-21)14-6-1-2-7-16-30-22-12-13-25-23(17-22)24(29)18-26(31-25)20-9-4-3-5-10-20/h3-5,9-10,12-13,17-18,21,28H,1-2,6-8,11,14-16,19H2
InChIKeyHMQKIWOBTLZLLA-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 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one (CID 14982961) is 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCC(O)C3)cc12.
What is the InChIKey of 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
The InChIKey is HMQKIWOBTLZLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c28-21-11-8-15-27(19-21)14-6-1-2-7-16-30-22-12-13-25-23(17-22)24(29)18-26(31-25)20-9-4-3-5-10-20/h3-5,9-10,12-13,17-18,21,28H,1-2,6-8,11,14-16,19H2.
What are the key properties of 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one?
6-[6-(3-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 6-[6-(3-hydroxypiperidin-1-yl)hexoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).