1-(2-bromoethyl)piperidin-2-one

C7H12BrNO — CID 43212240

IUPAC1-(2-bromoethyl)piperidin-2-one
SMILESO=C1CCCCN1CCBr
InChIInChI=1S/C7H12BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-6H2
InChIKeyHQPUFQYFELNEMD-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-bromoethyl)piperidin-2-one

1-(2-bromoethyl)piperidin-2-one (PubChem CID 43212240) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)piperidin-2-one
PubChem CID43212240
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name1-(2-bromoethyl)piperidin-2-one
SMILESO=C1CCCCN1CCBr
InChIInChI=1S/C7H12BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-6H2
InChIKeyHQPUFQYFELNEMD-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-bromoethyl)piperidin-2-one?
The IUPAC name of 1-(2-bromoethyl)piperidin-2-one (CID 43212240) is 1-(2-bromoethyl)piperidin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)piperidin-2-one?
The canonical SMILES for 1-(2-bromoethyl)piperidin-2-one is O=C1CCCCN1CCBr.
What is the InChIKey of 1-(2-bromoethyl)piperidin-2-one?
The InChIKey is HQPUFQYFELNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-6H2.
What are the key properties of 1-(2-bromoethyl)piperidin-2-one?
1-(2-bromoethyl)piperidin-2-one has a molecular weight of 206.08 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)piperidin-2-one is sourced from PubChem (CID 43212240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).