2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one

C15H27NO2 — CID 79933559

IUPAC2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one
SMILESCC1CCCCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27NO2/c1-11-8-6-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-12H,6-10H2,1-5H3
InChIKeyPJQUDZCYHLTXFB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.63
Rot. Bonds2

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

2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one (PubChem CID 79933559) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one
PubChem CID79933559
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one
SMILESCC1CCCCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27NO2/c1-11-8-6-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-12H,6-10H2,1-5H3
InChIKeyPJQUDZCYHLTXFB-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one (CID 79933559) is 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one is CC1CCCCN1CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one?
The InChIKey is PJQUDZCYHLTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-8-6-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one has a molecular weight of 253.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[(2-methylpiperidin-1-yl)methyl]oxolan-3-one is sourced from PubChem (CID 79933559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).