1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol

C13H25NO3 — CID 71392493

IUPAC1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol
SMILESCC1(O)CC(C)(O)C[N+]([O-])(C2CCCCC2)C1
InChIInChI=1S/C13H25NO3/c1-12(15)8-13(2,16)10-14(17,9-12)11-6-4-3-5-7-11/h11,15-16H,3-10H2,1-2H3
InChIKeyABUJCNYPQSUKCL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.54
Rot. Bonds1

About 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol

1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol (PubChem CID 71392493) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol.

Molecular Properties

Compound Name1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol
PubChem CID71392493
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol
SMILESCC1(O)CC(C)(O)C[N+]([O-])(C2CCCCC2)C1
InChIInChI=1S/C13H25NO3/c1-12(15)8-13(2,16)10-14(17,9-12)11-6-4-3-5-7-11/h11,15-16H,3-10H2,1-2H3
InChIKeyABUJCNYPQSUKCL-UHFFFAOYSA-N
XLogP1.54
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol?
The IUPAC name of 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol (CID 71392493) is 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol.
What is the SMILES notation for 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol?
The canonical SMILES for 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol is CC1(O)CC(C)(O)C[N+]([O-])(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol?
The InChIKey is ABUJCNYPQSUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(15)8-13(2,16)10-14(17,9-12)11-6-4-3-5-7-11/h11,15-16H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol?
1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol has a molecular weight of 243.35 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,5-dimethyl-1-oxidopiperidin-1-ium-3,5-diol is sourced from PubChem (CID 71392493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).