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

C18H33NO2 — CID 79913562

IUPAC4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H33NO2/c1-16(2,3)13-8-10-19(11-9-13)12-14-15(20)18(6,7)21-17(14,4)5/h13-14H,8-12H2,1-7H3
InChIKeyFWTQREKJZBQXKP-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.52
Rot. Bonds2

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

4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913562) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913562
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H33NO2/c1-16(2,3)13-8-10-19(11-9-13)12-14-15(20)18(6,7)21-17(14,4)5/h13-14H,8-12H2,1-7H3
InChIKeyFWTQREKJZBQXKP-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913562) is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN2CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is FWTQREKJZBQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-16(2,3)13-8-10-19(11-9-13)12-14-15(20)18(6,7)21-17(14,4)5/h13-14H,8-12H2,1-7H3.
What are the key properties of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 295.47 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).