2-methyl-6-piperidin-4-yloxychromen-4-one

C15H17NO3 — CID 28815119

IUPAC2-methyl-6-piperidin-4-yloxychromen-4-one
SMILESCc1cc(=O)c2cc(OC3CCNCC3)ccc2o1
InChIInChI=1S/C15H17NO3/c1-10-8-14(17)13-9-12(2-3-15(13)18-10)19-11-4-6-16-7-5-11/h2-3,8-9,11,16H,4-7H2,1H3
InChIKeyZPBVKWOKCKEBGV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-6-piperidin-4-yloxychromen-4-one

2-methyl-6-piperidin-4-yloxychromen-4-one (PubChem CID 28815119) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yloxychromen-4-one.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yloxychromen-4-one
PubChem CID28815119
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-methyl-6-piperidin-4-yloxychromen-4-one
SMILESCc1cc(=O)c2cc(OC3CCNCC3)ccc2o1
InChIInChI=1S/C15H17NO3/c1-10-8-14(17)13-9-12(2-3-15(13)18-10)19-11-4-6-16-7-5-11/h2-3,8-9,11,16H,4-7H2,1H3
InChIKeyZPBVKWOKCKEBGV-UHFFFAOYSA-N
XLogP2.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-4-yloxychromen-4-one?
The IUPAC name of 2-methyl-6-piperidin-4-yloxychromen-4-one (CID 28815119) is 2-methyl-6-piperidin-4-yloxychromen-4-one.
What is the SMILES notation for 2-methyl-6-piperidin-4-yloxychromen-4-one?
The canonical SMILES for 2-methyl-6-piperidin-4-yloxychromen-4-one is Cc1cc(=O)c2cc(OC3CCNCC3)ccc2o1.
What is the InChIKey of 2-methyl-6-piperidin-4-yloxychromen-4-one?
The InChIKey is ZPBVKWOKCKEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-8-14(17)13-9-12(2-3-15(13)18-10)19-11-4-6-16-7-5-11/h2-3,8-9,11,16H,4-7H2,1H3.
What are the key properties of 2-methyl-6-piperidin-4-yloxychromen-4-one?
2-methyl-6-piperidin-4-yloxychromen-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yloxychromen-4-one is sourced from PubChem (CID 28815119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).