4-(2-bromophenyl)piperidin-3-one

C11H12BrNO — CID 82623287

IUPAC4-(2-bromophenyl)piperidin-3-one
SMILESO=C1CNCCC1c1ccccc1Br
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14/h1-4,9,13H,5-7H2
InChIKeyVZSUWFFAKORZIQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.10
Rot. Bonds1

About 4-(2-bromophenyl)piperidin-3-one

4-(2-bromophenyl)piperidin-3-one (PubChem CID 82623287) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-(2-bromophenyl)piperidin-3-one.

Molecular Properties

Compound Name4-(2-bromophenyl)piperidin-3-one
PubChem CID82623287
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-(2-bromophenyl)piperidin-3-one
SMILESO=C1CNCCC1c1ccccc1Br
InChIInChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14/h1-4,9,13H,5-7H2
InChIKeyVZSUWFFAKORZIQ-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromodeschloroketamine
CID 71588007
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3-(4-Bromophenyl)piperidin-2-one
CID 46840040
(S)-5-(4-Bromophenyl)piperidin-2-one
CID 74763839
(5-Bromo-2-fluorophenyl)-4-piperidinylmethanone
CID 49761190
(4-Bromo-2-fluorophenyl)-piperidin-4-ylmethanone
CID 50999146
1-(4-Bromo-2-fluorophenyl)-3-piperidin-4-ylpropane-1,3-dione
CID 70379874
(3-Bromo-2-fluorophenyl)-piperidin-4-ylmethanone
CID 103863159
(4-Bromo-3-fluorophenyl)-piperidin-4-ylmethanone
CID 177335461
1-(Bromophenyl)-2-(ethylamino)propan-1-one
CID 129844423
(2-Bromo-4-fluorophenyl)-piperidin-4-ylmethanone
CID 14054547
(3-Bromo-4-fluorophenyl)-piperidin-4-ylmethanone
CID 79736727

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)piperidin-3-one?
The IUPAC name of 4-(2-bromophenyl)piperidin-3-one (CID 82623287) is 4-(2-bromophenyl)piperidin-3-one.
What is the SMILES notation for 4-(2-bromophenyl)piperidin-3-one?
The canonical SMILES for 4-(2-bromophenyl)piperidin-3-one is O=C1CNCCC1c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)piperidin-3-one?
The InChIKey is VZSUWFFAKORZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-4-2-1-3-8(10)9-5-6-13-7-11(9)14/h1-4,9,13H,5-7H2.
What are the key properties of 4-(2-bromophenyl)piperidin-3-one?
4-(2-bromophenyl)piperidin-3-one has a molecular weight of 254.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)piperidin-3-one is sourced from PubChem (CID 82623287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).