2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol

C16H33NO3 — CID 89209157

IUPAC2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
SMILESCC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C16H33NO3/c1-12(2)20-13-9-14(3,4)17(15(5,6)10-13)19-11-16(7,8)18/h12-13,18H,9-11H2,1-8H3
InChIKeyYQTAVBLNGHWDIJ-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol

2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol (PubChem CID 89209157) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
PubChem CID89209157
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
SMILESCC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C16H33NO3/c1-12(2)20-13-9-14(3,4)17(15(5,6)10-13)19-11-16(7,8)18/h12-13,18H,9-11H2,1-8H3
InChIKeyYQTAVBLNGHWDIJ-UHFFFAOYSA-N
XLogP3.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol?
The IUPAC name of 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol (CID 89209157) is 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol?
The canonical SMILES for 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol is CC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol?
The InChIKey is YQTAVBLNGHWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-12(2)20-13-9-14(3,4)17(15(5,6)10-13)19-11-16(7,8)18/h12-13,18H,9-11H2,1-8H3.
What are the key properties of 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol?
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol is sourced from PubChem (CID 89209157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).