1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol

C14H29NO5 — CID 178064876

IUPAC1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol
SMILESCC(O)COC(CO)OCC1(C)CCCC(C)(C)N1O
InChIInChI=1S/C14H29NO5/c1-11(17)9-19-12(8-16)20-10-14(4)7-5-6-13(2,3)15(14)18/h11-12,16-18H,5-10H2,1-4H3
InChIKeyUEQMKQKFXMAXOG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.13
Rot. Bonds7

About 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol

1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol (PubChem CID 178064876) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol
PubChem CID178064876
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol
SMILESCC(O)COC(CO)OCC1(C)CCCC(C)(C)N1O
InChIInChI=1S/C14H29NO5/c1-11(17)9-19-12(8-16)20-10-14(4)7-5-6-13(2,3)15(14)18/h11-12,16-18H,5-10H2,1-4H3
InChIKeyUEQMKQKFXMAXOG-UHFFFAOYSA-N
XLogP1.13
TPSA82.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-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 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol (CID 178064876) is 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol is CC(O)COC(CO)OCC1(C)CCCC(C)(C)N1O.
What is the InChIKey of 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol?
The InChIKey is UEQMKQKFXMAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-11(17)9-19-12(8-16)20-10-14(4)7-5-6-13(2,3)15(14)18/h11-12,16-18H,5-10H2,1-4H3.
What are the key properties of 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol?
1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 178064876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).