3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one

C11H21NO3 — CID 104679073

IUPAC3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one
SMILESCC(C)OCC(O)CC1CCCNC1=O
InChIInChI=1S/C11H21NO3/c1-8(2)15-7-10(13)6-9-4-3-5-12-11(9)14/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBIBSGWHCTDJXNC-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one

3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one (PubChem CID 104679073) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one
PubChem CID104679073
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one
SMILESCC(C)OCC(O)CC1CCCNC1=O
InChIInChI=1S/C11H21NO3/c1-8(2)15-7-10(13)6-9-4-3-5-12-11(9)14/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyBIBSGWHCTDJXNC-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one 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 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one?
The IUPAC name of 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one (CID 104679073) is 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one.
What is the SMILES notation for 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one?
The canonical SMILES for 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one is CC(C)OCC(O)CC1CCCNC1=O.
What is the InChIKey of 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one?
The InChIKey is BIBSGWHCTDJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)15-7-10(13)6-9-4-3-5-12-11(9)14/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one?
3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-2-one is sourced from PubChem (CID 104679073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).