2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine

C13H26N2O — CID 117228618

IUPAC2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
SMILESCC1(C)COC(C)(CCN2CCCCC2)N1
InChIInChI=1S/C13H26N2O/c1-12(2)11-16-13(3,14-12)7-10-15-8-5-4-6-9-15/h14H,4-11H2,1-3H3
InChIKeyAJZKIGMUGNROHN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds3

About 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine

2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine (PubChem CID 117228618) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
PubChem CID117228618
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
SMILESCC1(C)COC(C)(CCN2CCCCC2)N1
InChIInChI=1S/C13H26N2O/c1-12(2)11-16-13(3,14-12)7-10-15-8-5-4-6-9-15/h14H,4-11H2,1-3H3
InChIKeyAJZKIGMUGNROHN-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine (CID 117228618) is 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine is CC1(C)COC(C)(CCN2CCCCC2)N1.
What is the InChIKey of 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine?
The InChIKey is AJZKIGMUGNROHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)11-16-13(3,14-12)7-10-15-8-5-4-6-9-15/h14H,4-11H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine?
2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine is sourced from PubChem (CID 117228618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).