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

C13H26N2O — CID 117227798

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCCN1CCC(CC2NC(C)(C)CO2)CC1
InChIInChI=1S/C13H26N2O/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVHPRQSNEMDCKAZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds3

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

2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine (PubChem CID 117227798) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
PubChem CID117227798
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCCN1CCC(CC2NC(C)(C)CO2)CC1
InChIInChI=1S/C13H26N2O/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyVHPRQSNEMDCKAZ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227725
4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227699
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228008
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
1,4-diethylpiperidine;ethane
CID 143709904
1-ethyl-4-[(2-methylpiperidin-2-yl)methyl]piperidine
CID 117271188
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine (CID 117227798) is 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine is CCN1CCC(CC2NC(C)(C)CO2)CC1.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is VHPRQSNEMDCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15-7-5-11(6-8-15)9-12-14-13(2,3)10-16-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine?
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117227798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).