1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone

C15H26ClNO2 — CID 102937419

IUPAC1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
SMILESCC1CN(C(=O)CC2CCCCCC2)CC(CCl)O1
InChIInChI=1S/C15H26ClNO2/c1-12-10-17(11-14(9-16)19-12)15(18)8-13-6-4-2-3-5-7-13/h12-14H,2-11H2,1H3
InChIKeyJVEQQGXIJPVIQQ-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone (PubChem CID 102937419) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
PubChem CID102937419
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
SMILESCC1CN(C(=O)CC2CCCCCC2)CC(CCl)O1
InChIInChI=1S/C15H26ClNO2/c1-12-10-17(11-14(9-16)19-12)15(18)8-13-6-4-2-3-5-7-13/h12-14H,2-11H2,1H3
InChIKeyJVEQQGXIJPVIQQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.20
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-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102937469
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
CID 102937471
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 102937571
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 102937414
(6R)-4-[2-(4,4-dimethylcyclohexyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone?
The IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone (CID 102937419) is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone.
What is the SMILES notation for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone?
The canonical SMILES for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone is CC1CN(C(=O)CC2CCCCCC2)CC(CCl)O1.
What is the InChIKey of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone?
The InChIKey is JVEQQGXIJPVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-12-10-17(11-14(9-16)19-12)15(18)8-13-6-4-2-3-5-7-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone?
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone has a molecular weight of 287.83 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone is sourced from PubChem (CID 102937419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).