3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one

C22H23NO3 — CID 21287489

IUPAC3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cccc(OCCC3CCCCN3)c12
InChIInChI=1S/C22H23NO3/c24-22-18(16-7-2-1-3-8-16)15-26-20-11-6-10-19(21(20)22)25-14-12-17-9-4-5-13-23-17/h1-3,6-8,10-11,15,17,23H,4-5,9,12-14H2
InChIKeyBHJONEUUMLONNZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.37
Rot. Bonds5

About 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one

3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one (PubChem CID 21287489) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one
PubChem CID21287489
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cccc(OCCC3CCCCN3)c12
InChIInChI=1S/C22H23NO3/c24-22-18(16-7-2-1-3-8-16)15-26-20-11-6-10-19(21(20)22)25-14-12-17-9-4-5-13-23-17/h1-3,6-8,10-11,15,17,23H,4-5,9,12-14H2
InChIKeyBHJONEUUMLONNZ-UHFFFAOYSA-N
XLogP4.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
CID 56829706
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
CID 173164904
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
5-phenyl-3-(2-piperidin-1-ylethoxy)-1,2-oxazole;5-phenyl-3-(2-piperidin-2-ylethoxy)-1,2-oxazole;hydrochloride
CID 160715651

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one?
The IUPAC name of 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one (CID 21287489) is 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one.
What is the SMILES notation for 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one?
The canonical SMILES for 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one is O=c1c(-c2ccccc2)coc2cccc(OCCC3CCCCN3)c12.
What is the InChIKey of 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one?
The InChIKey is BHJONEUUMLONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c24-22-18(16-7-2-1-3-8-16)15-26-20-11-6-10-19(21(20)22)25-14-12-17-9-4-5-13-23-17/h1-3,6-8,10-11,15,17,23H,4-5,9,12-14H2.
What are the key properties of 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one?
3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-piperidin-2-ylethoxy)chromen-4-one is sourced from PubChem (CID 21287489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).