4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C16H31NO3 — CID 107229016

IUPAC4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC(CCO)C2)C1O
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-8-5-6-12(10-17)7-9-18/h12-14,18-19H,5-11H2,1-4H3
InChIKeyJDBORMLMFMVDMC-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.65
Rot. Bonds4

About 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 107229016) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID107229016
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC(CCO)C2)C1O
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-8-5-6-12(10-17)7-9-18/h12-14,18-19H,5-11H2,1-4H3
InChIKeyJDBORMLMFMVDMC-UHFFFAOYSA-N
XLogP1.65
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-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 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 107229016) is 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)OC(C)(C)C(CN2CCCC(CCO)C2)C1O.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is JDBORMLMFMVDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-8-5-6-12(10-17)7-9-18/h12-14,18-19H,5-11H2,1-4H3.
What are the key properties of 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 285.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 107229016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).