2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine

C11H18N2O — CID 123507683

IUPAC2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine
SMILESCC1=NC(CC2CCNCC2)=CCO1
InChIInChI=1S/C11H18N2O/c1-9-13-11(4-7-14-9)8-10-2-5-12-6-3-10/h4,10,12H,2-3,5-8H2,1H3
InChIKeyVSQGCCUOWPVPDL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.71
Rot. Bonds2

About 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine

2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine (PubChem CID 123507683) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine.

Molecular Properties

Compound Name2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine
PubChem CID123507683
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine
SMILESCC1=NC(CC2CCNCC2)=CCO1
InChIInChI=1S/C11H18N2O/c1-9-13-11(4-7-14-9)8-10-2-5-12-6-3-10/h4,10,12H,2-3,5-8H2,1H3
InChIKeyVSQGCCUOWPVPDL-UHFFFAOYSA-N
XLogP1.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
CID 123549216
4-[(2-methyl-6H-1,3-oxazin-4-yl)methyl]piperidin-1-amine
CID 123836426

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine?
The IUPAC name of 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine (CID 123507683) is 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine.
What is the SMILES notation for 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine?
The canonical SMILES for 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine is CC1=NC(CC2CCNCC2)=CCO1.
What is the InChIKey of 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine?
The InChIKey is VSQGCCUOWPVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-13-11(4-7-14-9)8-10-2-5-12-6-3-10/h4,10,12H,2-3,5-8H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine?
2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine has a molecular weight of 194.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine is sourced from PubChem (CID 123507683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).