4-[(3-chloro-2-fluorophenyl)methylidene]piperidine

C12H13ClFN — CID 102864225

IUPAC4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
SMILESFc1c(Cl)cccc1C=C1CCNCC1
InChIInChI=1S/C12H13ClFN/c13-11-3-1-2-10(12(11)14)8-9-4-6-15-7-5-9/h1-3,8,15H,4-7H2
InChIKeySZHQDXGMLCZJTM-UHFFFAOYSA-N
MW225.69 g/mol
LogP3.25
Rot. Bonds1

About 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine

4-[(3-chloro-2-fluorophenyl)methylidene]piperidine (PubChem CID 102864225) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
PubChem CID102864225
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
SMILESFc1c(Cl)cccc1C=C1CCNCC1
InChIInChI=1S/C12H13ClFN/c13-11-3-1-2-10(12(11)14)8-9-4-6-15-7-5-9/h1-3,8,15H,4-7H2
InChIKeySZHQDXGMLCZJTM-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine 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-[(3-chloro-2-fluorophenyl)methylidene]piperidine?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine (CID 102864225) is 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine is Fc1c(Cl)cccc1C=C1CCNCC1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine?
The InChIKey is SZHQDXGMLCZJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN/c13-11-3-1-2-10(12(11)14)8-9-4-6-15-7-5-9/h1-3,8,15H,4-7H2.
What are the key properties of 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine?
4-[(3-chloro-2-fluorophenyl)methylidene]piperidine has a molecular weight of 225.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)methylidene]piperidine is sourced from PubChem (CID 102864225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).