1-(bromomethyl)piperidin-2-one

C6H10BrNO — CID 58523369

IUPAC1-(bromomethyl)piperidin-2-one
SMILESO=C1CCCCN1CBr
InChIInChI=1S/C6H10BrNO/c7-5-8-4-2-1-3-6(8)9/h1-5H2
InChIKeyFRWLHPWAWCZKFY-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.35
Rot. Bonds1

About 1-(bromomethyl)piperidin-2-one

1-(bromomethyl)piperidin-2-one (PubChem CID 58523369) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 1-(bromomethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(bromomethyl)piperidin-2-one
PubChem CID58523369
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name1-(bromomethyl)piperidin-2-one
SMILESO=C1CCCCN1CBr
InChIInChI=1S/C6H10BrNO/c7-5-8-4-2-1-3-6(8)9/h1-5H2
InChIKeyFRWLHPWAWCZKFY-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)piperidin-2-one?
The IUPAC name of 1-(bromomethyl)piperidin-2-one (CID 58523369) is 1-(bromomethyl)piperidin-2-one.
What is the SMILES notation for 1-(bromomethyl)piperidin-2-one?
The canonical SMILES for 1-(bromomethyl)piperidin-2-one is O=C1CCCCN1CBr.
What is the InChIKey of 1-(bromomethyl)piperidin-2-one?
The InChIKey is FRWLHPWAWCZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c7-5-8-4-2-1-3-6(8)9/h1-5H2.
What are the key properties of 1-(bromomethyl)piperidin-2-one?
1-(bromomethyl)piperidin-2-one has a molecular weight of 192.06 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)piperidin-2-one is sourced from PubChem (CID 58523369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).