2-bromo-1-piperidin-1-ylethanone

C7H12BrNO — CID 10822137

IUPAC2-bromo-1-piperidin-1-ylethanone
SMILESO=C(CBr)N1CCCCC1
InChIInChI=1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyGWJIPNKXIAJCPA-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.39
Rot. Bonds1

About 2-bromo-1-piperidin-1-ylethanone

2-bromo-1-piperidin-1-ylethanone (PubChem CID 10822137) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-bromo-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-bromo-1-piperidin-1-ylethanone
PubChem CID10822137
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name2-bromo-1-piperidin-1-ylethanone
SMILESO=C(CBr)N1CCCCC1
InChIInChI=1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyGWJIPNKXIAJCPA-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

3-Bromo-1-(piperidin-1-yl)propan-1-one
CID 4469044
1-(4-Bromopiperidin-1-yl)ethan-1-one
CID 22894003
1-(3-Bromopiperidin-1-yl)ethan-1-one
CID 66569142
2-Bromo-2,2-difluoro-1-piperidino-1-ethanone
CID 3695244
2-Bromo-1-(1-piperidinyl)-1-propanone
CID 13036606
2,2,2-Tribromo-1-piperidin-1-ylethanone
CID 11268506
2-Bromo-1-(2-methylpiperidin-1-yl)ethanone
CID 20319366
Piperidine, 1-(dibromoacetyl)-
CID 12279291
3-Bromo-1-piperidin-1-ylprop-2-yn-1-one
CID 19434627
1-(2-Bromoethyl)piperidin-2-one
CID 43212240
1-(Bromoacetyl)-4-methylpiperidine
CID 52984046
1-(Bromomethyl)piperidin-2-one
CID 58523369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-piperidin-1-ylethanone?
The IUPAC name of 2-bromo-1-piperidin-1-ylethanone (CID 10822137) is 2-bromo-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-bromo-1-piperidin-1-ylethanone?
The canonical SMILES for 2-bromo-1-piperidin-1-ylethanone is O=C(CBr)N1CCCCC1.
What is the InChIKey of 2-bromo-1-piperidin-1-ylethanone?
The InChIKey is GWJIPNKXIAJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2.
What are the key properties of 2-bromo-1-piperidin-1-ylethanone?
2-bromo-1-piperidin-1-ylethanone has a molecular weight of 206.08 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-piperidin-1-ylethanone is sourced from PubChem (CID 10822137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).