7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one

C23H27NO3 — CID 21287367

IUPAC7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
SMILESCN1CCCCC1CCOc1ccc2c(c1)OCC(c1ccccc1)C2=O
InChIInChI=1S/C23H27NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15,18,21H,5-6,9,12-14,16H2,1H3
InChIKeyXRANXDVBOGYHNW-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.30
Rot. Bonds5

About 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one

7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 21287367) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID21287367
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
SMILESCN1CCCCC1CCOc1ccc2c(c1)OCC(c1ccccc1)C2=O
InChIInChI=1S/C23H27NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15,18,21H,5-6,9,12-14,16H2,1H3
InChIKeyXRANXDVBOGYHNW-UHFFFAOYSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
CID 21287332
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 121328247
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one (CID 21287367) is 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one is CN1CCCCC1CCOc1ccc2c(c1)OCC(c1ccccc1)C2=O.
What is the InChIKey of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is XRANXDVBOGYHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15,18,21H,5-6,9,12-14,16H2,1H3.
What are the key properties of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one?
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 21287367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).