4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

C16H29NO2 — CID 79933463

IUPAC4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1C
InChIInChI=1S/C16H29NO2/c1-11-8-7-9-17(12(11)2)10-13-14(18)16(5,6)19-15(13,3)4/h11-13H,7-10H2,1-6H3
InChIKeyALSGLHUPVWUFNE-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds2

About 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933463) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933463
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1C
InChIInChI=1S/C16H29NO2/c1-11-8-7-9-17(12(11)2)10-13-14(18)16(5,6)19-15(13,3)4/h11-13H,7-10H2,1-6H3
InChIKeyALSGLHUPVWUFNE-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933463) is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1CCCN(CC2C(=O)C(C)(C)OC2(C)C)C1C.
What is the InChIKey of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is ALSGLHUPVWUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11-8-7-9-17(12(11)2)10-13-14(18)16(5,6)19-15(13,3)4/h11-13H,7-10H2,1-6H3.
What are the key properties of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 267.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).