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

C24H29NO2 — CID 21287349

IUPAC6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN1CCCCC1CC(Oc1ccc2c(c1)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-25-15-6-5-11-20(25)17-24(18-8-3-2-4-9-18)27-21-13-14-22-19(16-21)10-7-12-23(22)26/h2-4,8-9,13-14,16,20,24H,5-7,10-12,15,17H2,1H3
InChIKeyRGMJUKPKORYURK-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.20
Rot. Bonds5

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

6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21287349) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21287349
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN1CCCCC1CC(Oc1ccc2c(c1)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-25-15-6-5-11-20(25)17-24(18-8-3-2-4-9-18)27-21-13-14-22-19(16-21)10-7-12-23(22)26/h2-4,8-9,13-14,16,20,24H,5-7,10-12,15,17H2,1H3
InChIKeyRGMJUKPKORYURK-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54137242
2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
CID 23339220
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
CID 54181155
[2-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54224947
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
CID 54501628
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
1-methyl-2-[2-phenyl-2-[4-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
CID 57037717
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 21287349) is 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one is CN1CCCCC1CC(Oc1ccc2c(c1)CCCC2=O)c1ccccc1.
What is the InChIKey of 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RGMJUKPKORYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-25-15-6-5-11-20(25)17-24(18-8-3-2-4-9-18)27-21-13-14-22-19(16-21)10-7-12-23(22)26/h2-4,8-9,13-14,16,20,24H,5-7,10-12,15,17H2,1H3.
What are the key properties of 6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 363.50 g/mol, XLogP of 5.20, 5 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)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21287349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).