1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione

C10H18N2O3 — CID 79507028

IUPAC1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
SMILESCNCC(O)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-7-3-9(14)12(10(15)4-7)6-8(13)5-11-2/h7-8,11,13H,3-6H2,1-2H3
InChIKeyMXSYHALRSCQFIA-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.65
Rot. Bonds4

About 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione

1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione (PubChem CID 79507028) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
PubChem CID79507028
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
SMILESCNCC(O)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-7-3-9(14)12(10(15)4-7)6-8(13)5-11-2/h7-8,11,13H,3-6H2,1-2H3
InChIKeyMXSYHALRSCQFIA-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(methylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 61238098
1-(2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 79506655
3-[2-hydroxy-3-(methylamino)propyl]-1-methylimidazolidine-2,4-dione
CID 43212312
1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 106288772
2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
CID 62933969
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
2-[2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-dione
CID 43169305
1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
CID 106802582
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
CID 79507124
4-methyl-1-[2-(propylamino)pentyl]piperidine-2,6-dione
CID 79506645

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione (CID 79507028) is 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione is CNCC(O)CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione?
The InChIKey is MXSYHALRSCQFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-9(14)12(10(15)4-7)6-8(13)5-11-2/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione?
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione has a molecular weight of 214.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).