1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one

C18H21NO2 — CID 104680358

IUPAC1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C18H21NO2/c1-13-6-5-11-19(18(13)21)12-17(20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17,20H,5-6,11-12H2,1H3
InChIKeyOBLAMUCCCHLTGN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one

1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one (PubChem CID 104680358) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
PubChem CID104680358
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C18H21NO2/c1-13-6-5-11-19(18(13)21)12-17(20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17,20H,5-6,11-12H2,1H3
InChIKeyOBLAMUCCCHLTGN-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-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

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-[(3-methyl-2-oxopiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 104679851
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
CID 101202152

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one (CID 104680358) is 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one is CC1CCCN(CC(O)c2cccc3ccccc23)C1=O.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one?
The InChIKey is OBLAMUCCCHLTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-6-5-11-19(18(13)21)12-17(20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17,20H,5-6,11-12H2,1H3.
What are the key properties of 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one?
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 104680358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).