2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride

C13H27ClN2O — CID 117226246

IUPAC2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCC(C2NCC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)12-14-9-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyJJUPKWAZQDZWQP-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.11
Rot. Bonds2

About 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride

2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117226246) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
PubChem CID117226246
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCC(C2NCC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)12-14-9-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyJJUPKWAZQDZWQP-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
CID 117227798
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
CID 117227196

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride (CID 117226246) is 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride is CCN1CCC(C2NCC(C)(C)CO2)CC1.Cl.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is JJUPKWAZQDZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-15-7-5-11(6-8-15)12-14-9-13(2,3)10-16-12;/h11-12,14H,4-10H2,1-3H3;1H.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).