2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine

C13H26N2O — CID 117228772

IUPAC2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine
SMILESCN1CCC(CC2(C)NCC(C)(C)O2)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)10-14-13(3,16-12)9-11-5-7-15(4)8-6-11/h11,14H,5-10H2,1-4H3
InChIKeyUYMJLYMRHMXXDY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds2

About 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine

2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine (PubChem CID 117228772) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine
PubChem CID117228772
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine
SMILESCN1CCC(CC2(C)NCC(C)(C)O2)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)10-14-13(3,16-12)9-11-5-7-15(4)8-6-11/h11,14H,5-10H2,1-4H3
InChIKeyUYMJLYMRHMXXDY-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine (CID 117228772) is 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine is CN1CCC(CC2(C)NCC(C)(C)O2)CC1.
What is the InChIKey of 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The InChIKey is UYMJLYMRHMXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)10-14-13(3,16-12)9-11-5-7-15(4)8-6-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine?
2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine has a molecular weight of 226.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).