6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one

C16H23FN2O2 — CID 60963489

IUPAC6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c17-14-7-5-13(6-8-14)15-12-19(10-11-21-15)16(20)4-2-1-3-9-18/h5-8,15H,1-4,9-12,18H2
InChIKeyUKZYLFUOCOZZLI-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.24
Rot. Bonds6

About 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one

6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one (PubChem CID 60963489) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
PubChem CID60963489
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c17-14-7-5-13(6-8-14)15-12-19(10-11-21-15)16(20)4-2-1-3-9-18/h5-8,15H,1-4,9-12,18H2
InChIKeyUKZYLFUOCOZZLI-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one (CID 60963489) is 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one is NCCCCCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one?
The InChIKey is UKZYLFUOCOZZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-7-5-13(6-8-14)15-12-19(10-11-21-15)16(20)4-2-1-3-9-18/h5-8,15H,1-4,9-12,18H2.
What are the key properties of 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one?
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one is sourced from PubChem (CID 60963489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).