3-[2-(3-chlorophenyl)ethynyl]piperidine

C13H14ClN — CID 141169044

IUPAC3-[2-(3-chlorophenyl)ethynyl]piperidine
SMILESClc1cccc(C#CC2CCCNC2)c1
InChIInChI=1S/C13H14ClN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1,3,5,9,12,15H,2,4,8,10H2
InChIKeyRJEGGTZBHZWXHH-UHFFFAOYSA-N
MW219.72 g/mol
LogP2.69
Rot. Bonds

About 3-[2-(3-chlorophenyl)ethynyl]piperidine

3-[2-(3-chlorophenyl)ethynyl]piperidine (PubChem CID 141169044) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethynyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethynyl]piperidine
PubChem CID141169044
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name3-[2-(3-chlorophenyl)ethynyl]piperidine
SMILESClc1cccc(C#CC2CCCNC2)c1
InChIInChI=1S/C13H14ClN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1,3,5,9,12,15H,2,4,8,10H2
InChIKeyRJEGGTZBHZWXHH-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethynyl]piperidine?
The IUPAC name of 3-[2-(3-chlorophenyl)ethynyl]piperidine (CID 141169044) is 3-[2-(3-chlorophenyl)ethynyl]piperidine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethynyl]piperidine?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethynyl]piperidine is Clc1cccc(C#CC2CCCNC2)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethynyl]piperidine?
The InChIKey is RJEGGTZBHZWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1,3,5,9,12,15H,2,4,8,10H2.
What are the key properties of 3-[2-(3-chlorophenyl)ethynyl]piperidine?
3-[2-(3-chlorophenyl)ethynyl]piperidine has a molecular weight of 219.72 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethynyl]piperidine is sourced from PubChem (CID 141169044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).