3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol

C11H23NO2 — CID 20795174

IUPAC3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol
SMILESCC1CC(C)N(CC(O)CO)C(C)C1
InChIInChI=1S/C11H23NO2/c1-8-4-9(2)12(10(3)5-8)6-11(14)7-13/h8-11,13-14H,4-7H2,1-3H3
InChIKeyPOGUWGTWRWGAFQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds3

About 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol

3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol (PubChem CID 20795174) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol
PubChem CID20795174
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol
SMILESCC1CC(C)N(CC(O)CO)C(C)C1
InChIInChI=1S/C11H23NO2/c1-8-4-9(2)12(10(3)5-8)6-11(14)7-13/h8-11,13-14H,4-7H2,1-3H3
InChIKeyPOGUWGTWRWGAFQ-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine
CID 104301
(2R,3R,4R)-2-(hydroxymethyl)-1-(4-methylpentyl)piperidine-3,4-diol
CID 118986941
1,2,5-Trimethylpiperidin-4-ol
CID 4367834
1-Piperidineethanol, 5-ethyl-2-methyl-
CID 205792
1-Butyl-5-methyl-piperidine-3,4-diol
CID 44368231
1,5,6-Trimethyl-3-piperidinol
CID 3939577
1-[1-(2-Hydroxyethyl)piperidin-4-yl]propan-1-ol
CID 11970511
1-Ethyl-2,3-dimethylpiperidin-4-ol
CID 5301327
1,2,5-Trimethylpiperidin-3-ol
CID 3891778
1,2,3-Trimethylpiperidin-4-ol
CID 3972739
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methyl-5-propylpiperidine-3,4-diol
CID 72547443
(3R,4R)-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine-3,4-diol
CID 155933610

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol (CID 20795174) is 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol is CC1CC(C)N(CC(O)CO)C(C)C1.
What is the InChIKey of 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol?
The InChIKey is POGUWGTWRWGAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8-4-9(2)12(10(3)5-8)6-11(14)7-13/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol?
3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylpiperidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 20795174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).