3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol

C12H25NO3 — CID 142047447

IUPAC3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
SMILESCC1(C)CC(OCC(O)CO)CC(C)(C)N1
InChIInChI=1S/C12H25NO3/c1-11(2)5-10(6-12(3,4)13-11)16-8-9(15)7-14/h9-10,13-15H,5-8H2,1-4H3
InChIKeyVSJXSHBYKHHMMK-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.67
Rot. Bonds4

About 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol

3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol (PubChem CID 142047447) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
PubChem CID142047447
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
SMILESCC1(C)CC(OCC(O)CO)CC(C)(C)N1
InChIInChI=1S/C12H25NO3/c1-11(2)5-10(6-12(3,4)13-11)16-8-9(15)7-14/h9-10,13-15H,5-8H2,1-4H3
InChIKeyVSJXSHBYKHHMMK-UHFFFAOYSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[butyl-(3-chloro-2-hydroxypropyl)amino]-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 154451765
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyacetic acid
CID 70186401
1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 141097112
3-(4-hydroxycyclohexyl)oxypropane-1,2-diol
CID 21393261
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
CID 175289125
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)
CID 177274067
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyacetamide
CID 67899016

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol (CID 142047447) is 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol is CC1(C)CC(OCC(O)CO)CC(C)(C)N1.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol?
The InChIKey is VSJXSHBYKHHMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)5-10(6-12(3,4)13-11)16-8-9(15)7-14/h9-10,13-15H,5-8H2,1-4H3.
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol?
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol has a molecular weight of 231.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol is sourced from PubChem (CID 142047447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).