[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone

C13H22ClNO2 — CID 81211556

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
SMILESCC1COC(CCl)CN1C(=O)C1CCCCC1
InChIInChI=1S/C13H22ClNO2/c1-10-9-17-12(7-14)8-15(10)13(16)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3
InChIKeyIKTQDSWCKLBKFT-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.42
Rot. Bonds2

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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone (PubChem CID 81211556) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
PubChem CID81211556
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
SMILESCC1COC(CCl)CN1C(=O)C1CCCCC1
InChIInChI=1S/C13H22ClNO2/c1-10-9-17-12(7-14)8-15(10)13(16)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3
InChIKeyIKTQDSWCKLBKFT-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(oxan-3-yl)methanone
CID 81211312
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
CID 81212140
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 81211726
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-cyclopentylpropan-1-one
CID 81212550
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81213790
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 81211564
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone (CID 81211556) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone is CC1COC(CCl)CN1C(=O)C1CCCCC1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone?
The InChIKey is IKTQDSWCKLBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-10-9-17-12(7-14)8-15(10)13(16)11-5-3-2-4-6-11/h10-12H,2-9H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone has a molecular weight of 259.78 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone is sourced from PubChem (CID 81211556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).