4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one

C15H27NO2 — CID 114425872

IUPAC4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CCNC(C2C(=O)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C15H27NO2/c1-6-10-7-8-16-11(9-10)12-13(17)15(4,5)18-14(12,2)3/h10-12,16H,6-9H2,1-5H3
InChIKeyNIQWOOZKMYGYAM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.54
Rot. Bonds2

About 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one

4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 114425872) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one
PubChem CID114425872
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC1CCNC(C2C(=O)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C15H27NO2/c1-6-10-7-8-16-11(9-10)12-13(17)15(4,5)18-14(12,2)3/h10-12,16H,6-9H2,1-5H3
InChIKeyNIQWOOZKMYGYAM-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one (CID 114425872) is 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one is CCC1CCNC(C2C(=O)C(C)(C)OC2(C)C)C1.
What is the InChIKey of 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is NIQWOOZKMYGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-10-7-8-16-11(9-10)12-13(17)15(4,5)18-14(12,2)3/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one?
4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 253.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 114425872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).