(2S)-1-morpholin-4-yl-2-phenylbutan-1-one

C14H19NO2 — CID 670056

IUPAC(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(12-6-4-3-5-7-12)14(16)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyQQJLGMMQCBPJAO-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-phenylbutan-1-one

(2S)-1-morpholin-4-yl-2-phenylbutan-1-one (PubChem CID 670056) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
PubChem CID670056
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13(12-6-4-3-5-7-12)14(16)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyQQJLGMMQCBPJAO-ZDUSSCGKSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111099902
(5S)-6-morpholin-4-yl-6-oxo-5-phenylhexanamide
CID 67937720
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
CID 55047533
1-(4-methyl-1,4-diazepan-1-yl)-2-phenylbutan-1-one
CID 6467944
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-phenylbutan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-phenylbutan-1-one (CID 670056) is (2S)-1-morpholin-4-yl-2-phenylbutan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-phenylbutan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-phenylbutan-1-one is CC[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-phenylbutan-1-one?
The InChIKey is QQJLGMMQCBPJAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13(12-6-4-3-5-7-12)14(16)15-8-10-17-11-9-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-phenylbutan-1-one?
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-phenylbutan-1-one is sourced from PubChem (CID 670056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).