1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone

C13H22ClNO2 — CID 81210447

IUPAC1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCOC(CCl)C1
InChIInChI=1S/C13H22ClNO2/c14-9-12-10-15(6-7-17-12)13(16)8-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyJEEZVGJJXPRFQJ-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.42
Rot. Bonds3

About 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone

1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone (PubChem CID 81210447) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
PubChem CID81210447
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCOC(CCl)C1
InChIInChI=1S/C13H22ClNO2/c14-9-12-10-15(6-7-17-12)13(16)8-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyJEEZVGJJXPRFQJ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyrrolidin-3-ylethanone
CID 81203465
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003221
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone (CID 81210447) is 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCOC(CCl)C1.
What is the InChIKey of 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone?
The InChIKey is JEEZVGJJXPRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c14-9-12-10-15(6-7-17-12)13(16)8-11-4-2-1-3-5-11/h11-12H,1-10H2.
What are the key properties of 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone?
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone has a molecular weight of 259.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone is sourced from PubChem (CID 81210447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).