4-[1-(4-chlorophenyl)ethylidene]piperidine

C13H16ClN — CID 86704303

IUPAC4-[1-(4-chlorophenyl)ethylidene]piperidine
SMILESCC(=C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,15H,6-9H2,1H3
InChIKeyPDFSBPINTDYYMV-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.50
Rot. Bonds1

About 4-[1-(4-chlorophenyl)ethylidene]piperidine

4-[1-(4-chlorophenyl)ethylidene]piperidine (PubChem CID 86704303) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylidene]piperidine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylidene]piperidine
PubChem CID86704303
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name4-[1-(4-chlorophenyl)ethylidene]piperidine
SMILESCC(=C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,15H,6-9H2,1H3
InChIKeyPDFSBPINTDYYMV-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylidene]piperidine?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylidene]piperidine (CID 86704303) is 4-[1-(4-chlorophenyl)ethylidene]piperidine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylidene]piperidine?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylidene]piperidine is CC(=C1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylidene]piperidine?
The InChIKey is PDFSBPINTDYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,15H,6-9H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethylidene]piperidine?
4-[1-(4-chlorophenyl)ethylidene]piperidine has a molecular weight of 221.73 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylidene]piperidine is sourced from PubChem (CID 86704303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).