2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

C11H19BrN2O2 — CID 130344836

IUPAC2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CBr)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H19BrN2O2/c12-9-11(15)14-3-1-10(2-4-14)13-5-7-16-8-6-13/h10H,1-9H2
InChIKeyOVELUCXVIZSPQT-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.70
Rot. Bonds2

About 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone

2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 130344836) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID130344836
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(CBr)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H19BrN2O2/c12-9-11(15)14-3-1-10(2-4-14)13-5-7-16-8-6-13/h10H,1-9H2
InChIKeyOVELUCXVIZSPQT-UHFFFAOYSA-N
XLogP0.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone (CID 130344836) is 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is O=C(CBr)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is OVELUCXVIZSPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c12-9-11(15)14-3-1-10(2-4-14)13-5-7-16-8-6-13/h10H,1-9H2.
What are the key properties of 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone?
2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 291.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 130344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).