2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine

C12H17ClN2O — CID 102936755

IUPAC2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC1CN(Cc2ccncc2)CC(CCl)O1
InChIInChI=1S/C12H17ClN2O/c1-10-7-15(9-12(6-13)16-10)8-11-2-4-14-5-3-11/h2-5,10,12H,6-9H2,1H3
InChIKeyXIQAKERRYZDFNA-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.91
Rot. Bonds3

About 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine

2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 102936755) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
PubChem CID102936755
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
SMILESCC1CN(Cc2ccncc2)CC(CCl)O1
InChIInChI=1S/C12H17ClN2O/c1-10-7-15(9-12(6-13)16-10)8-11-2-4-14-5-3-11/h2-5,10,12H,6-9H2,1H3
InChIKeyXIQAKERRYZDFNA-UHFFFAOYSA-N
XLogP1.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
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

4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
[(3S,4R)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124516
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
CID 102936812
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine (CID 102936755) is 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine is CC1CN(Cc2ccncc2)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is XIQAKERRYZDFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10-7-15(9-12(6-13)16-10)8-11-2-4-14-5-3-11/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine?
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 240.73 g/mol, XLogP of 1.91, 3 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-ylmethyl)morpholine is sourced from PubChem (CID 102936755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).