4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine

C15H20ClN — CID 142119498

IUPAC4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine
SMILESC=Cc1cc(Cl)ccc1C(C)C1CCNCC1
InChIInChI=1S/C15H20ClN/c1-3-12-10-14(16)4-5-15(12)11(2)13-6-8-17-9-7-13/h3-5,10-11,13,17H,1,6-9H2,2H3
InChIKeyDKROGKIPVUXATH-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.09
Rot. Bonds3

About 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine

4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine (PubChem CID 142119498) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine
PubChem CID142119498
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine
SMILESC=Cc1cc(Cl)ccc1C(C)C1CCNCC1
InChIInChI=1S/C15H20ClN/c1-3-12-10-14(16)4-5-15(12)11(2)13-6-8-17-9-7-13/h3-5,10-11,13,17H,1,6-9H2,2H3
InChIKeyDKROGKIPVUXATH-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine?
The IUPAC name of 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine (CID 142119498) is 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine is C=Cc1cc(Cl)ccc1C(C)C1CCNCC1.
What is the InChIKey of 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine?
The InChIKey is DKROGKIPVUXATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-3-12-10-14(16)4-5-15(12)11(2)13-6-8-17-9-7-13/h3-5,10-11,13,17H,1,6-9H2,2H3.
What are the key properties of 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine?
4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine has a molecular weight of 249.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-2-ethenylphenyl)ethyl]piperidine is sourced from PubChem (CID 142119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).