2,2,2-tribromo-1-piperidin-1-ylethanone

C7H10Br3NO — CID 11268506

IUPAC2,2,2-tribromo-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(Br)(Br)Br
InChIInChI=1S/C7H10Br3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyPNQKGUABPCNSAZ-UHFFFAOYSA-N
MW363.88 g/mol
LogP2.84
Rot. Bonds

About 2,2,2-tribromo-1-piperidin-1-ylethanone

2,2,2-tribromo-1-piperidin-1-ylethanone (PubChem CID 11268506) has the molecular formula C7H10Br3NO and a molecular weight of 363.88 g/mol. Its IUPAC name is 2,2,2-tribromo-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2,2,2-tribromo-1-piperidin-1-ylethanone
PubChem CID11268506
Molecular FormulaC7H10Br3NO
Molecular Weight363.88 g/mol
Exact Mass360.83
IUPAC Name2,2,2-tribromo-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)C(Br)(Br)Br
InChIInChI=1S/C7H10Br3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKeyPNQKGUABPCNSAZ-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.88
LogP ≤ 52.84
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 2,2,2-tribromo-1-piperidin-1-ylethanone?
The IUPAC name of 2,2,2-tribromo-1-piperidin-1-ylethanone (CID 11268506) is 2,2,2-tribromo-1-piperidin-1-ylethanone.
What is the SMILES notation for 2,2,2-tribromo-1-piperidin-1-ylethanone?
The canonical SMILES for 2,2,2-tribromo-1-piperidin-1-ylethanone is O=C(N1CCCCC1)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-1-piperidin-1-ylethanone?
The InChIKey is PNQKGUABPCNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 2,2,2-tribromo-1-piperidin-1-ylethanone?
2,2,2-tribromo-1-piperidin-1-ylethanone has a molecular weight of 363.88 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-1-piperidin-1-ylethanone is sourced from PubChem (CID 11268506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).