2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride

C12H25ClN2O — CID 117227787

IUPAC2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(CC2CCN(C)CC2)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-9-15-12(2,13-10)8-11-4-6-14(3)7-5-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyQBYKCHXFMZAZCY-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.86
Rot. Bonds2

About 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride

2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117227787) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117227787
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(CC2CCN(C)CC2)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-9-15-12(2,13-10)8-11-4-6-14(3)7-5-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyQBYKCHXFMZAZCY-UHFFFAOYSA-N
XLogP1.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (CID 117227787) is 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is CC1COC(C)(CC2CCN(C)CC2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is QBYKCHXFMZAZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10-9-15-12(2,13-10)8-11-4-6-14(3)7-5-11;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).