4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride

C9H19ClN2O — CID 117227945

IUPAC4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCCN2)N1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-6-12-9(11-7)8-4-2-3-5-10-8;/h7-11H,2-6H2,1H3;1H
InChIKeyDHFHXUNJYAHMGN-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.88
Rot. Bonds1

About 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride

4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride (PubChem CID 117227945) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
PubChem CID117227945
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCCN2)N1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-6-12-9(11-7)8-4-2-3-5-10-8;/h7-11H,2-6H2,1H3;1H
InChIKeyDHFHXUNJYAHMGN-UHFFFAOYSA-N
XLogP0.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-2-yl-1,3-oxazinane;hydrochloride
CID 117225945
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227891
2-(azepan-2-yl)-1,3-oxazolidine
CID 174654499
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227809
2-methylpiperidine
CID 7974
2-pyrrolidin-2-ylpiperidine
CID 14810994
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
(2S)-2-methylazocane
CID 137404038
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
methane;2-methylpiperidine
CID 159247179
2-cycloheptylpiperidine;hydrochloride
CID 115030388

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride (CID 117227945) is 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride is CC1COC(C2CCCCN2)N1.Cl.
What is the InChIKey of 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride?
The InChIKey is DHFHXUNJYAHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7-6-12-9(11-7)8-4-2-3-5-10-8;/h7-11H,2-6H2,1H3;1H.
What are the key properties of 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride?
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).