2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine

C13H26N2O — CID 117228082

IUPAC2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
SMILESCCN1CCCCC1CC1(C)NC(C)CO1
InChIInChI=1S/C13H26N2O/c1-4-15-8-6-5-7-12(15)9-13(3)14-11(2)10-16-13/h11-12,14H,4-10H2,1-3H3
InChIKeyBQYSVHVTQHOLIF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds3

About 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine

2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine (PubChem CID 117228082) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
PubChem CID117228082
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
SMILESCCN1CCCCC1CC1(C)NC(C)CO1
InChIInChI=1S/C13H26N2O/c1-4-15-8-6-5-7-12(15)9-13(3)14-11(2)10-16-13/h11-12,14H,4-10H2,1-3H3
InChIKeyBQYSVHVTQHOLIF-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-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine (CID 117228082) is 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine is CCN1CCCCC1CC1(C)NC(C)CO1.
What is the InChIKey of 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine?
The InChIKey is BQYSVHVTQHOLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15-8-6-5-7-12(15)9-13(3)14-11(2)10-16-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine?
2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-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-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).