1-(4-benzylmorpholin-2-yl)ethanone

C13H17NO2 — CID 54594331

IUPAC1-(4-benzylmorpholin-2-yl)ethanone
SMILESCC(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H17NO2/c1-11(15)13-10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyHYFNBIVNYJGFJD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-benzylmorpholin-2-yl)ethanone

1-(4-benzylmorpholin-2-yl)ethanone (PubChem CID 54594331) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)ethanone
PubChem CID54594331
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-benzylmorpholin-2-yl)ethanone
SMILESCC(=O)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H17NO2/c1-11(15)13-10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyHYFNBIVNYJGFJD-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)ethanone?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)ethanone (CID 54594331) is 1-(4-benzylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)ethanone is CC(=O)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)ethanone?
The InChIKey is HYFNBIVNYJGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(15)13-10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 1-(4-benzylmorpholin-2-yl)ethanone?
1-(4-benzylmorpholin-2-yl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)ethanone is sourced from PubChem (CID 54594331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).