2-bromo-1-piperidin-2-ylethanone;hydrobromide

C7H13Br2NO — CID 140676583

IUPAC2-bromo-1-piperidin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)C1CCCCN1
InChIInChI=1S/C7H12BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h6,9H,1-5H2;1H
InChIKeyDBYCIZOMCDKZHY-UHFFFAOYSA-N
MW287.00 g/mol
LogP1.67
Rot. Bonds2

About 2-bromo-1-piperidin-2-ylethanone;hydrobromide

2-bromo-1-piperidin-2-ylethanone;hydrobromide (PubChem CID 140676583) has the molecular formula C7H13Br2NO and a molecular weight of 287.00 g/mol. Its IUPAC name is 2-bromo-1-piperidin-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-piperidin-2-ylethanone;hydrobromide
PubChem CID140676583
Molecular FormulaC7H13Br2NO
Molecular Weight287.00 g/mol
Exact Mass284.94
IUPAC Name2-bromo-1-piperidin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)C1CCCCN1
InChIInChI=1S/C7H12BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h6,9H,1-5H2;1H
InChIKeyDBYCIZOMCDKZHY-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.00
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-piperidin-2-ylethanone
CID 119030480
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628860
2-hydroxy-1-[(2S)-piperidin-2-yl]ethanone;(2S)-piperidine-2-carboxylic acid;hydrochloride
CID 160529699
(2R)-piperidine-2-carboxylic acid
CID 10725378
azacyclohenicosane-2-carboxylic acid
CID 22341743
3-ethylsulfonyl-1-piperidin-2-ylpropan-1-one
CID 106736095
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
sodium (2S)-piperidine-2-carboxylate
CID 23691892
1-pyrrolidin-2-ylbutan-1-one
CID 54066710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-piperidin-2-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-1-piperidin-2-ylethanone;hydrobromide (CID 140676583) is 2-bromo-1-piperidin-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-piperidin-2-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-piperidin-2-ylethanone;hydrobromide is Br.O=C(CBr)C1CCCCN1.
What is the InChIKey of 2-bromo-1-piperidin-2-ylethanone;hydrobromide?
The InChIKey is DBYCIZOMCDKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h6,9H,1-5H2;1H.
What are the key properties of 2-bromo-1-piperidin-2-ylethanone;hydrobromide?
2-bromo-1-piperidin-2-ylethanone;hydrobromide has a molecular weight of 287.00 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-piperidin-2-ylethanone;hydrobromide is sourced from PubChem (CID 140676583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).