1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one

C15H21NO2 — CID 110643992

IUPAC1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-10-14(18-11-12(16)2)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyQVSGTQLTVUFFDX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one

1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one (PubChem CID 110643992) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
PubChem CID110643992
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-10-14(18-11-12(16)2)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyQVSGTQLTVUFFDX-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
CID 110644011
1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 110706995
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
5-methyl-2-(2-phenylethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 110746747
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-3-phenoxypropan-1-one
CID 81212080

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one (CID 110643992) is 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one is CCC(=O)N1CC(Cc2ccccc2)OCC1C.
What is the InChIKey of 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one?
The InChIKey is QVSGTQLTVUFFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(17)16-10-14(18-11-12(16)2)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one?
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110643992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).