(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone

C12H12BrClFNO — CID 105398450

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)C1CCNCC1
InChIInChI=1S/C12H12BrClFNO/c13-9-6-11(15)8(5-10(9)14)12(17)7-1-3-16-4-2-7/h5-7,16H,1-4H2
InChIKeyMQQHFZCXSFESDP-UHFFFAOYSA-N
MW320.59 g/mol
LogP3.42
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone

(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone (PubChem CID 105398450) has the molecular formula C12H12BrClFNO and a molecular weight of 320.59 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone
PubChem CID105398450
Molecular FormulaC12H12BrClFNO
Molecular Weight320.59 g/mol
Exact Mass318.98
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)C1CCNCC1
InChIInChI=1S/C12H12BrClFNO/c13-9-6-11(15)8(5-10(9)14)12(17)7-1-3-16-4-2-7/h5-7,16H,1-4H2
InChIKeyMQQHFZCXSFESDP-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.59
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone (CID 105398450) is (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone is O=C(c1cc(Cl)c(Br)cc1F)C1CCNCC1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone?
The InChIKey is MQQHFZCXSFESDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO/c13-9-6-11(15)8(5-10(9)14)12(17)7-1-3-16-4-2-7/h5-7,16H,1-4H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone?
(4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone has a molecular weight of 320.59 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 105398450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).