[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone

C17H19NO3 — CID 102934601

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
SMILESCC1CN(C(=O)c2cccc3ccccc23)CC(CO)O1
InChIInChI=1S/C17H19NO3/c1-12-9-18(10-14(11-19)21-12)17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,19H,9-11H2,1H3
InChIKeyFBNLWBCOCROEDR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.06
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone (PubChem CID 102934601) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
PubChem CID102934601
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
SMILESCC1CN(C(=O)c2cccc3ccccc23)CC(CO)O1
InChIInChI=1S/C17H19NO3/c1-12-9-18(10-14(11-19)21-12)17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,19H,9-11H2,1H3
InChIKeyFBNLWBCOCROEDR-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone 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-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
(2-bromo-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932978
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 102934734
(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103037651
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone (CID 102934601) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone is CC1CN(C(=O)c2cccc3ccccc23)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is FBNLWBCOCROEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-9-18(10-14(11-19)21-12)17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,19H,9-11H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 285.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 102934601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).