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

C17H25NO2 — CID 110643995

IUPAC1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C17H25NO2/c1-3-4-10-17(19)18-12-16(20-13-14(18)2)11-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyQEKOUFBSVYGVQH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.04
Rot. Bonds5

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

1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one (PubChem CID 110643995) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
PubChem CID110643995
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C17H25NO2/c1-3-4-10-17(19)18-12-16(20-13-14(18)2)11-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyQEKOUFBSVYGVQH-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
1-[2-(aminomethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81211868
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
CID 110643761
(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-(1H-indol-3-yl)ethanone
CID 110644020
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
CID 110644011
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-3-phenoxypropan-1-one
CID 81212080
1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 110706995

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one (CID 110643995) is 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one is CCCCC(=O)N1CC(Cc2ccccc2)OCC1C.
What is the InChIKey of 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one?
The InChIKey is QEKOUFBSVYGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-10-17(19)18-12-16(20-13-14(18)2)11-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3.
What are the key properties of 1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one?
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.04, 5 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)pentan-1-one is sourced from PubChem (CID 110643995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).