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

C11H22N2O — CID 117225733

IUPAC2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
SMILESCCN1CCCC(CC2NCCO2)C1
InChIInChI=1S/C11H22N2O/c1-2-13-6-3-4-10(9-13)8-11-12-5-7-14-11/h10-12H,2-9H2,1H3
InChIKeyRFOMNVJKVUEQEV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.05
Rot. Bonds3

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

2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine (PubChem CID 117225733) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
PubChem CID117225733
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
SMILESCCN1CCCC(CC2NCCO2)C1
InChIInChI=1S/C11H22N2O/c1-2-13-6-3-4-10(9-13)8-11-12-5-7-14-11/h10-12H,2-9H2,1H3
InChIKeyRFOMNVJKVUEQEV-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine (CID 117225733) is 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine is CCN1CCCC(CC2NCCO2)C1.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine?
The InChIKey is RFOMNVJKVUEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-13-6-3-4-10(9-13)8-11-12-5-7-14-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine?
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine has a molecular weight of 198.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117225733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).