1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione

C12H21NO3 — CID 106802582

IUPAC1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
SMILESCCC(O)CCCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H21NO3/c1-3-10(14)5-4-6-13-11(15)7-9(2)8-12(13)16/h9-10,14H,3-8H2,1-2H3
InChIKeyLTVZZZVOWMIWTC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.32
Rot. Bonds5

About 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione

1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione (PubChem CID 106802582) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
PubChem CID106802582
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
SMILESCCC(O)CCCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H21NO3/c1-3-10(14)5-4-6-13-11(15)7-9(2)8-12(13)16/h9-10,14H,3-8H2,1-2H3
InChIKeyLTVZZZVOWMIWTC-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 79506655
4-methyl-1-[4-(propylamino)pentyl]piperidine-2,6-dione
CID 79506055
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 106288772
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)hexan-3-ol
CID 106802440
6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
CID 79507028
methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
CID 79506636
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
CID 79507124
nonane-3,7-diol
CID 22141483

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione (CID 106802582) is 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione is CCC(O)CCCN1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione?
The InChIKey is LTVZZZVOWMIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-10(14)5-4-6-13-11(15)7-9(2)8-12(13)16/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione?
1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione has a molecular weight of 227.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 106802582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).