2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine

C11H15ClN2O — CID 102937003

IUPAC2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
SMILESCC1CN(c2ccncc2)CC(CCl)O1
InChIInChI=1S/C11H15ClN2O/c1-9-7-14(8-11(6-12)15-9)10-2-4-13-5-3-10/h2-5,9,11H,6-8H2,1H3
InChIKeyROVRLINSBSGZGK-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.91
Rot. Bonds2

About 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine

2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine (PubChem CID 102937003) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
PubChem CID102937003
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
SMILESCC1CN(c2ccncc2)CC(CCl)O1
InChIInChI=1S/C11H15ClN2O/c1-9-7-14(8-11(6-12)15-9)10-2-4-13-5-3-10/h2-5,9,11H,6-8H2,1H3
InChIKeyROVRLINSBSGZGK-UHFFFAOYSA-N
XLogP1.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
CID 114276586
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]ethanamine
CID 82290839
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 102937075
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
CID 102937046
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine (CID 102937003) is 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine is CC1CN(c2ccncc2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine?
The InChIKey is ROVRLINSBSGZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9-7-14(8-11(6-12)15-9)10-2-4-13-5-3-10/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine?
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine has a molecular weight of 226.71 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine is sourced from PubChem (CID 102937003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).