4-[(2,3-dichlorophenyl)methylidene]piperidine

C12H13Cl2N — CID 107310997

IUPAC4-[(2,3-dichlorophenyl)methylidene]piperidine
SMILESClc1cccc(C=C2CCNCC2)c1Cl
InChIInChI=1S/C12H13Cl2N/c13-11-3-1-2-10(12(11)14)8-9-4-6-15-7-5-9/h1-3,8,15H,4-7H2
InChIKeyVQGIDPJKUGRQNZ-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.76
Rot. Bonds1

About 4-[(2,3-dichlorophenyl)methylidene]piperidine

4-[(2,3-dichlorophenyl)methylidene]piperidine (PubChem CID 107310997) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methylidene]piperidine
PubChem CID107310997
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name4-[(2,3-dichlorophenyl)methylidene]piperidine
SMILESClc1cccc(C=C2CCNCC2)c1Cl
InChIInChI=1S/C12H13Cl2N/c13-11-3-1-2-10(12(11)14)8-9-4-6-15-7-5-9/h1-3,8,15H,4-7H2
InChIKeyVQGIDPJKUGRQNZ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methylidene]piperidine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methylidene]piperidine (CID 107310997) is 4-[(2,3-dichlorophenyl)methylidene]piperidine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methylidene]piperidine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methylidene]piperidine is Clc1cccc(C=C2CCNCC2)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methylidene]piperidine?
The InChIKey is VQGIDPJKUGRQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/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-[(2,3-dichlorophenyl)methylidene]piperidine?
4-[(2,3-dichlorophenyl)methylidene]piperidine has a molecular weight of 242.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methylidene]piperidine is sourced from PubChem (CID 107310997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).