1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone

C14H24ClNO2 — CID 81212285

IUPAC1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
SMILESCC1COC(CCl)CN1C(=O)CC1CCCCC1
InChIInChI=1S/C14H24ClNO2/c1-11-10-18-13(8-15)9-16(11)14(17)7-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeySDDKNKIKHRTIGX-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone

1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone (PubChem CID 81212285) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
PubChem CID81212285
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
SMILESCC1COC(CCl)CN1C(=O)CC1CCCCC1
InChIInChI=1S/C14H24ClNO2/c1-11-10-18-13(8-15)9-16(11)14(17)7-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeySDDKNKIKHRTIGX-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.81
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-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 114459047
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-cyclopentylpropan-1-one
CID 81212550
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-methylbutan-1-one
CID 81211802
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 81211726
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(oxan-3-yl)methanone
CID 81211312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone (CID 81212285) is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone is CC1COC(CCl)CN1C(=O)CC1CCCCC1.
What is the InChIKey of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone?
The InChIKey is SDDKNKIKHRTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-11-10-18-13(8-15)9-16(11)14(17)7-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone?
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone has a molecular weight of 273.80 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone is sourced from PubChem (CID 81212285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).