1,2,2,6,6-pentamethylpiperidine-4,4-diol

C10H21NO2 — CID 18955677

IUPAC1,2,2,6,6-pentamethylpiperidine-4,4-diol
SMILESCN1C(C)(C)CC(O)(O)CC1(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-10(12,13)7-9(3,4)11(8)5/h12-13H,6-7H2,1-5H3
InChIKeyIISAYSFDMCDXHM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.95
Rot. Bonds

About 1,2,2,6,6-pentamethylpiperidine-4,4-diol

1,2,2,6,6-pentamethylpiperidine-4,4-diol (PubChem CID 18955677) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethylpiperidine-4,4-diol.

Molecular Properties

Compound Name1,2,2,6,6-pentamethylpiperidine-4,4-diol
PubChem CID18955677
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1,2,2,6,6-pentamethylpiperidine-4,4-diol
SMILESCN1C(C)(C)CC(O)(O)CC1(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-10(12,13)7-9(3,4)11(8)5/h12-13H,6-7H2,1-5H3
InChIKeyIISAYSFDMCDXHM-UHFFFAOYSA-N
XLogP0.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethylpiperidine-4,4-diol?
The IUPAC name of 1,2,2,6,6-pentamethylpiperidine-4,4-diol (CID 18955677) is 1,2,2,6,6-pentamethylpiperidine-4,4-diol.
What is the SMILES notation for 1,2,2,6,6-pentamethylpiperidine-4,4-diol?
The canonical SMILES for 1,2,2,6,6-pentamethylpiperidine-4,4-diol is CN1C(C)(C)CC(O)(O)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethylpiperidine-4,4-diol?
The InChIKey is IISAYSFDMCDXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)6-10(12,13)7-9(3,4)11(8)5/h12-13H,6-7H2,1-5H3.
What are the key properties of 1,2,2,6,6-pentamethylpiperidine-4,4-diol?
1,2,2,6,6-pentamethylpiperidine-4,4-diol has a molecular weight of 187.28 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethylpiperidine-4,4-diol is sourced from PubChem (CID 18955677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).