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

C27H33NO4 — CID 14982995

IUPAC7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C27H33NO4/c29-22-13-16-28(17-14-22)15-7-2-1-3-8-18-31-23-11-12-24-25(30)20-26(32-27(24)19-23)21-9-5-4-6-10-21/h4-6,9-12,19-20,22,29H,1-3,7-8,13-18H2
InChIKeyWEIVNWQRFIAOTQ-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.25
Rot. Bonds10

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

7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one (PubChem CID 14982995) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one
PubChem CID14982995
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C27H33NO4/c29-22-13-16-28(17-14-22)15-7-2-1-3-8-18-31-23-11-12-24-25(30)20-26(32-27(24)19-23)21-9-5-4-6-10-21/h4-6,9-12,19-20,22,29H,1-3,7-8,13-18H2
InChIKeyWEIVNWQRFIAOTQ-UHFFFAOYSA-N
XLogP5.25
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.25
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-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one?
The IUPAC name of 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one (CID 14982995) is 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one?
The canonical SMILES for 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCN3CCC(O)CC3)ccc12.
What is the InChIKey of 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one?
The InChIKey is WEIVNWQRFIAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c29-22-13-16-28(17-14-22)15-7-2-1-3-8-18-31-23-11-12-24-25(30)20-26(32-27(24)19-23)21-9-5-4-6-10-21/h4-6,9-12,19-20,22,29H,1-3,7-8,13-18H2.
What are the key properties of 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one?
7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one has a molecular weight of 435.56 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(4-hydroxypiperidin-1-yl)heptoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).