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

C15H27NO3 — CID 79933867

IUPAC4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCCC(CO)C2)C1=O
InChIInChI=1S/C15H27NO3/c1-14(2)12(13(18)15(3,4)19-14)9-16-7-5-6-11(8-16)10-17/h11-12,17H,5-10H2,1-4H3
InChIKeyCXMJMIKRJFAWBZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.46
Rot. Bonds3

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

4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933867) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933867
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCCC(CO)C2)C1=O
InChIInChI=1S/C15H27NO3/c1-14(2)12(13(18)15(3,4)19-14)9-16-7-5-6-11(8-16)10-17/h11-12,17H,5-10H2,1-4H3
InChIKeyCXMJMIKRJFAWBZ-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929370
2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
CID 79912814
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102966841
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934553
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102789412
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
CID 79934376
4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 107229016
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 107228813

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933867) is 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN2CCCC(CO)C2)C1=O.
What is the InChIKey of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is CXMJMIKRJFAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)12(13(18)15(3,4)19-14)9-16-7-5-6-11(8-16)10-17/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 269.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).