4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one

C15H17NO3 — CID 54687523

IUPAC4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1CN1CCCCC1
InChIInChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2
InChIKeyZZUCJGSOKDNIEZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.48
Rot. Bonds2

About 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one

4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one (PubChem CID 54687523) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one
PubChem CID54687523
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1CN1CCCCC1
InChIInChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2
InChIKeyZZUCJGSOKDNIEZ-UHFFFAOYSA-N
XLogP2.48
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one (CID 54687523) is 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one is O=c1oc2ccccc2c(O)c1CN1CCCCC1.
What is the InChIKey of 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one?
The InChIKey is ZZUCJGSOKDNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-11-6-2-3-7-13(11)19-15(18)12(14)10-16-8-4-1-5-9-16/h2-3,6-7,17H,1,4-5,8-10H2.
What are the key properties of 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one?
4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one has a molecular weight of 259.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(piperidin-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 54687523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).