4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride

C12H25ClN2O — CID 117227683

IUPAC4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCN(C(C)C)CC2)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-6-4-11(5-7-14)12-13-10(3)8-15-12;/h9-13H,4-8H2,1-3H3;1H
InChIKeyJDOJEGDOJGQBLF-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride

4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227683) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227683
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCN(C(C)C)CC2)N1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-6-4-11(5-7-14)12-13-10(3)8-15-12;/h9-13H,4-8H2,1-3H3;1H
InChIKeyJDOJEGDOJGQBLF-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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Related Compounds

4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227627
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
5-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazinane
CID 117226185
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227809
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227891
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
1,4-di(propan-2-yl)piperidine
CID 21303253
(2R,4S)-2-cyclohexyl-4-propan-2-yl-1,3-oxazolidine
CID 131847789
2-methyltellanyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 171800016
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride (CID 117227683) is 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C2CCN(C(C)C)CC2)N1.Cl.
What is the InChIKey of 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is JDOJEGDOJGQBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)14-6-4-11(5-7-14)12-13-10(3)8-15-12;/h9-13H,4-8H2,1-3H3;1H.
What are the key properties of 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride?
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-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 4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).