2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one

C15H20ClNO2 — CID 55047533

IUPAC2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
SMILESCC(CC(Cl)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-12(13-5-3-2-4-6-13)11-14(16)15(18)17-7-9-19-10-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyJWHQHRUZZSWKCT-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one

2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one (PubChem CID 55047533) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
PubChem CID55047533
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
SMILESCC(CC(Cl)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-12(13-5-3-2-4-6-13)11-14(16)15(18)17-7-9-19-10-8-17/h2-6,12,14H,7-11H2,1H3
InChIKeyJWHQHRUZZSWKCT-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
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
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
(5S)-6-morpholin-4-yl-6-oxo-5-phenylhexanamide
CID 67937720
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
CID 86893294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one?
The IUPAC name of 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one (CID 55047533) is 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one.
What is the SMILES notation for 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one?
The canonical SMILES for 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one is CC(CC(Cl)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one?
The InChIKey is JWHQHRUZZSWKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-12(13-5-3-2-4-6-13)11-14(16)15(18)17-7-9-19-10-8-17/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one?
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one is sourced from PubChem (CID 55047533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).