1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione

C16H21NO4 — CID 79497402

IUPAC1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
SMILESCOc1ccc(C(C)O)cc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C16H21NO4/c1-10-6-15(19)17(16(20)7-10)9-13-8-12(11(2)18)4-5-14(13)21-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyNKDOWPMTLWPJAE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.03
Rot. Bonds4

About 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione

1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione (PubChem CID 79497402) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
PubChem CID79497402
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
SMILESCOc1ccc(C(C)O)cc1CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C16H21NO4/c1-10-6-15(19)17(16(20)7-10)9-13-8-12(11(2)18)4-5-14(13)21-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyNKDOWPMTLWPJAE-UHFFFAOYSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936035
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]ethanol
CID 65320149
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836626
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42946432
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62019696
2-[2-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]phenyl]acetic acid
CID 81318118
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
CID 163533268

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione (CID 79497402) is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione is COc1ccc(C(C)O)cc1CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is NKDOWPMTLWPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-6-15(19)17(16(20)7-10)9-13-8-12(11(2)18)4-5-14(13)21-3/h4-5,8,10-11,18H,6-7,9H2,1-3H3.
What are the key properties of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione?
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79497402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).