2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride

C13H27ClN2O — CID 117226620

IUPAC2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(CC2CCCCN2C)OC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11-9-14-13(2,16-10-11)8-12-6-4-5-7-15(12)3;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyBYHFRYHHHCHGKS-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.25
Rot. Bonds2

About 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride

2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride (PubChem CID 117226620) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride
PubChem CID117226620
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C)(CC2CCCCN2C)OC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11-9-14-13(2,16-10-11)8-12-6-4-5-7-15(12)3;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyBYHFRYHHHCHGKS-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride?
The IUPAC name of 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride (CID 117226620) is 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride is CC1CNC(C)(CC2CCCCN2C)OC1.Cl.
What is the InChIKey of 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride?
The InChIKey is BYHFRYHHHCHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11-9-14-13(2,16-10-11)8-12-6-4-5-7-15(12)3;/h11-12,14H,4-10H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride?
2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;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 2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).