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

C24H27NO4 — CID 14982992

IUPAC7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C24H27NO4/c26-19-10-13-25(14-11-19)12-4-5-15-28-20-8-9-21-22(27)17-23(29-24(21)16-20)18-6-2-1-3-7-18/h1-3,6-9,16-17,19,26H,4-5,10-15H2
InChIKeyXZTTUHFKZWBHFM-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.08
Rot. Bonds7

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

7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one (PubChem CID 14982992) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one
PubChem CID14982992
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCC(O)CC3)ccc12
InChIInChI=1S/C24H27NO4/c26-19-10-13-25(14-11-19)12-4-5-15-28-20-8-9-21-22(27)17-23(29-24(21)16-20)18-6-2-1-3-7-18/h1-3,6-9,16-17,19,26H,4-5,10-15H2
InChIKeyXZTTUHFKZWBHFM-UHFFFAOYSA-N
XLogP4.08
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one?
The IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one (CID 14982992) is 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one?
The canonical SMILES for 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCC(O)CC3)ccc12.
What is the InChIKey of 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one?
The InChIKey is XZTTUHFKZWBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-19-10-13-25(14-11-19)12-4-5-15-28-20-8-9-21-22(27)17-23(29-24(21)16-20)18-6-2-1-3-7-18/h1-3,6-9,16-17,19,26H,4-5,10-15H2.
What are the key properties of 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one?
7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-hydroxypiperidin-1-yl)butoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).