6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one

C17H21NO3 — CID 88650025

IUPAC6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
SMILESCN1CCCCC1CCOc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H21NO3/c1-18-10-3-2-4-14(18)9-11-20-15-6-7-16-13(12-15)5-8-17(19)21-16/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyFHKJWTJRFJZXCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.05
Rot. Bonds4

About 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one

6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one (PubChem CID 88650025) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
PubChem CID88650025
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
SMILESCN1CCCCC1CCOc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H21NO3/c1-18-10-3-2-4-14(18)9-11-20-15-6-7-16-13(12-15)5-8-17(19)21-16/h5-8,12,14H,2-4,9-11H2,1H3
InChIKeyFHKJWTJRFJZXCA-UHFFFAOYSA-N
XLogP3.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
6-(2-hydroxyethoxy)chromen-2-one
CID 89388659
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135
3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
CID 69073873
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
CID 21287367

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one?
The IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one (CID 88650025) is 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one?
The canonical SMILES for 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one is CN1CCCCC1CCOc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one?
The InChIKey is FHKJWTJRFJZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-10-3-2-4-14(18)9-11-20-15-6-7-16-13(12-15)5-8-17(19)21-16/h5-8,12,14H,2-4,9-11H2,1H3.
What are the key properties of 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one?
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one has a molecular weight of 287.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 88650025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).