6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

C18H25NO2 — CID 21287501

IUPAC6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN1CCCCC1CCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C18H25NO2/c1-19-11-3-2-6-15(19)10-12-21-16-8-9-17-14(13-16)5-4-7-18(17)20/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyJVXIUZKHYQGRQA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.46
Rot. Bonds4

About 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21287501) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21287501
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN1CCCCC1CCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C18H25NO2/c1-19-11-3-2-6-15(19)10-12-21-16-8-9-17-14(13-16)5-4-7-18(17)20/h8-9,13,15H,2-7,10-12H2,1H3
InChIKeyJVXIUZKHYQGRQA-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287349
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
CID 21287367
2-(cyclohexylmethyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline;oxalic acid
CID 68687781
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 21287501) is 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is CN1CCCCC1CCOc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JVXIUZKHYQGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-11-3-2-6-15(19)10-12-21-16-8-9-17-14(13-16)5-4-7-18(17)20/h8-9,13,15H,2-7,10-12H2,1H3.
What are the key properties of 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21287501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).