1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol

C12H23NO3 — CID 20729403

IUPAC1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol
SMILESCC1CN(C2CC(C)C(C)O2)C(O)CC1O
InChIInChI=1S/C12H23NO3/c1-7-4-12(16-9(7)3)13-6-8(2)10(14)5-11(13)15/h7-12,14-15H,4-6H2,1-3H3
InChIKeyCUMLQQWHGITMOB-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.78
Rot. Bonds1

About 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol

1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol (PubChem CID 20729403) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol.

Molecular Properties

Compound Name1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol
PubChem CID20729403
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol
SMILESCC1CN(C2CC(C)C(C)O2)C(O)CC1O
InChIInChI=1S/C12H23NO3/c1-7-4-12(16-9(7)3)13-6-8(2)10(14)5-11(13)15/h7-12,14-15H,4-6H2,1-3H3
InChIKeyCUMLQQWHGITMOB-UHFFFAOYSA-N
XLogP0.78
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol?
The IUPAC name of 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol (CID 20729403) is 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol.
What is the SMILES notation for 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol?
The canonical SMILES for 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol is CC1CN(C2CC(C)C(C)O2)C(O)CC1O.
What is the InChIKey of 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol?
The InChIKey is CUMLQQWHGITMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-7-4-12(16-9(7)3)13-6-8(2)10(14)5-11(13)15/h7-12,14-15H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol?
1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol has a molecular weight of 229.32 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyloxolan-2-yl)-5-methylpiperidine-2,4-diol is sourced from PubChem (CID 20729403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).