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

C15H17NO3 — CID 11978440

IUPAC6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
SMILESO=c1c(CN2CCCCC2)coc2ccc(O)cc12
InChIInChI=1S/C15H17NO3/c17-12-4-5-14-13(8-12)15(18)11(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10,17H,1-3,6-7,9H2
InChIKeyPTXQBUHROJRNNB-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.48
Rot. Bonds2

About 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one

6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 11978440) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID11978440
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
SMILESO=c1c(CN2CCCCC2)coc2ccc(O)cc12
InChIInChI=1S/C15H17NO3/c17-12-4-5-14-13(8-12)15(18)11(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10,17H,1-3,6-7,9H2
InChIKeyPTXQBUHROJRNNB-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

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Related Compounds

3-(azepan-1-ylmethyl)-6-chlorochromen-4-one
CID 783077
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-6-ol
CID 70831939
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-4-one
CID 11978332
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
6-chloro-3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-4-one
CID 2845997
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
6-chloro-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]chromen-4-one
CID 30981055
5-(azepan-1-ylmethyl)-4-hydroxy-3-(morpholin-4-ylmethyl)pyran-2-one
CID 71701165
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
3-(piperidin-1-ylmethyl)-1H-indol-6-ol
CID 84693698

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one (CID 11978440) is 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one is O=c1c(CN2CCCCC2)coc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is PTXQBUHROJRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-12-4-5-14-13(8-12)15(18)11(10-19-14)9-16-6-2-1-3-7-16/h4-5,8,10,17H,1-3,6-7,9H2.
What are the key properties of 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one?
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-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 6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 11978440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).