1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one

C16H23NO2 — CID 2914701

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one
SMILESCC1CN(C(=O)CC(C)c2ccccc2)CC(C)O1
InChIInChI=1S/C16H23NO2/c1-12(15-7-5-4-6-8-15)9-16(18)17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3
InChIKeyOHWNBJDXBGUEMX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one (PubChem CID 2914701) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one
PubChem CID2914701
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one
SMILESCC1CN(C(=O)CC(C)c2ccccc2)CC(C)O1
InChIInChI=1S/C16H23NO2/c1-12(15-7-5-4-6-8-15)9-16(18)17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3
InChIKeyOHWNBJDXBGUEMX-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one (CID 2914701) is 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one is CC1CN(C(=O)CC(C)c2ccccc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one?
The InChIKey is OHWNBJDXBGUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(15-7-5-4-6-8-15)9-16(18)17-10-13(2)19-14(3)11-17/h4-8,12-14H,9-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-phenylbutan-1-one is sourced from PubChem (CID 2914701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).