5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride

C13H28ClN3O — CID 117227196

IUPAC5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
SMILESCN1CCN(CCC2NCC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-13(2)10-14-12(17-11-13)4-5-16-8-6-15(3)7-9-16;/h12,14H,4-11H2,1-3H3;1H
InChIKeyQSRSKRHTVCCBGZ-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.02
Rot. Bonds3

About 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride

5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride (PubChem CID 117227196) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
PubChem CID117227196
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
SMILESCN1CCN(CCC2NCC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-13(2)10-14-12(17-11-13)4-5-16-8-6-15(3)7-9-16;/h12,14H,4-11H2,1-3H3;1H
InChIKeyQSRSKRHTVCCBGZ-UHFFFAOYSA-N
XLogP1.02
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
CID 117226888
2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
CID 117225837
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine;hydrochloride
CID 117228597
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride (CID 117227196) is 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride is CN1CCN(CCC2NCC(C)(C)CO2)CC1.Cl.
What is the InChIKey of 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride?
The InChIKey is QSRSKRHTVCCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-13(2)10-14-12(17-11-13)4-5-16-8-6-15(3)7-9-16;/h12,14H,4-11H2,1-3H3;1H.
What are the key properties of 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride?
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117227196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).