1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one

C15H21NO2 — CID 95968357

IUPAC1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-2-15(17)16-10-11-18-14(12-16)9-8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyOLKFPGBADPLVGB-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one

1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one (PubChem CID 95968357) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
PubChem CID95968357
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-2-15(17)16-10-11-18-14(12-16)9-8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyOLKFPGBADPLVGB-AWEZNQCLSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 25395374
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one (CID 95968357) is 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one is CCC(=O)N1CCO[C@@H](CCc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is OLKFPGBADPLVGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(17)16-10-11-18-14(12-16)9-8-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 95968357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).