1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one

C15H26BrNO3 — CID 114781501

IUPAC1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCC2CCCCO2)CC(CBr)O1
InChIInChI=1S/C15H26BrNO3/c1-15(2)11-17(10-13(9-16)20-15)14(18)7-6-12-5-3-4-8-19-12/h12-13H,3-11H2,1-2H3
InChIKeyFIMRTEBURPCSHS-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.74
Rot. Bonds4

About 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one

1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one (PubChem CID 114781501) has the molecular formula C15H26BrNO3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
PubChem CID114781501
Molecular FormulaC15H26BrNO3
Molecular Weight348.28 g/mol
Exact Mass347.11
IUPAC Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCC2CCCCO2)CC(CBr)O1
InChIInChI=1S/C15H26BrNO3/c1-15(2)11-17(10-13(9-16)20-15)14(18)7-6-12-5-3-4-8-19-12/h12-13H,3-11H2,1-2H3
InChIKeyFIMRTEBURPCSHS-UHFFFAOYSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 114778309
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-cyclopropylethanone
CID 114781655
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184453
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397

Frequently Asked Questions

What is the IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one (CID 114781501) is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one is CC1(C)CN(C(=O)CCC2CCCCO2)CC(CBr)O1.
What is the InChIKey of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one?
The InChIKey is FIMRTEBURPCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO3/c1-15(2)11-17(10-13(9-16)20-15)14(18)7-6-12-5-3-4-8-19-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one?
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one has a molecular weight of 348.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 114781501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).