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

C15H27NO3 — CID 102966841

IUPAC4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1O
InChIInChI=1S/C15H27NO3/c1-10-6-7-16(9-12(10)17)8-11-13(18)15(4,5)19-14(11,2)3/h10-12,17H,6-9H2,1-5H3
InChIKeyPKLFLJJNFDGABS-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.46
Rot. Bonds2

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

4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 102966841) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID102966841
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1O
InChIInChI=1S/C15H27NO3/c1-10-6-7-16(9-12(10)17)8-11-13(18)15(4,5)19-14(11,2)3/h10-12,17H,6-9H2,1-5H3
InChIKeyPKLFLJJNFDGABS-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933867
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934553
4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102789412
4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934464
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
CID 79934376
2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
CID 79912814
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
CID 79934271
4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933125
2,2,5,5-tetramethyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-one
CID 79934477
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 114681871
5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960340

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 102966841) is 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1CCN(CC2C(=O)C(C)(C)OC2(C)C)CC1O.
What is the InChIKey of 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is PKLFLJJNFDGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-6-7-16(9-12(10)17)8-11-13(18)15(4,5)19-14(11,2)3/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 269.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 102966841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).