3-piperidin-1-ylchromen-4-one

C14H15NO2 — CID 615208

IUPAC3-piperidin-1-ylchromen-4-one
SMILESO=c1c(N2CCCCC2)coc2ccccc12
InChIInChI=1S/C14H15NO2/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyJKPBBAWTUKRUGO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.78
Rot. Bonds1

About 3-piperidin-1-ylchromen-4-one

3-piperidin-1-ylchromen-4-one (PubChem CID 615208) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name3-piperidin-1-ylchromen-4-one
PubChem CID615208
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-piperidin-1-ylchromen-4-one
SMILESO=c1c(N2CCCCC2)coc2ccccc12
InChIInChI=1S/C14H15NO2/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyJKPBBAWTUKRUGO-UHFFFAOYSA-N
XLogP2.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylchromen-4-one?
The IUPAC name of 3-piperidin-1-ylchromen-4-one (CID 615208) is 3-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 3-piperidin-1-ylchromen-4-one?
The canonical SMILES for 3-piperidin-1-ylchromen-4-one is O=c1c(N2CCCCC2)coc2ccccc12.
What is the InChIKey of 3-piperidin-1-ylchromen-4-one?
The InChIKey is JKPBBAWTUKRUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 3-piperidin-1-ylchromen-4-one?
3-piperidin-1-ylchromen-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 615208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).