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

C13H27ClN2O — CID 117227791

IUPAC2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCN1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-12(2)10-16-13(3,14-12)9-11-5-7-15(4)8-6-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyWLRFFOIZDNNMNV-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.25
Rot. Bonds2

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

2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117227791) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117227791
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCN1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-12(2)10-16-13(3,14-12)9-11-5-7-15(4)8-6-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyWLRFFOIZDNNMNV-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117227736
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227787
2,5,5-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine
CID 117228772
2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228013
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228618
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
CID 116930439
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (CID 117227791) is 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is CN1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is WLRFFOIZDNNMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-12(2)10-16-13(3,14-12)9-11-5-7-15(4)8-6-11;/h11,14H,5-10H2,1-4H3;1H.
What are the key properties of 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).