4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine

C14H16ClN — CID 67084457

IUPAC4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine
SMILESClc1ccc(C#CCC2CCNCC2)cc1
InChIInChI=1S/C14H16ClN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,3,8-11H2
InChIKeyFKJXUTBXSDGIQB-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.08
Rot. Bonds1

About 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine

4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine (PubChem CID 67084457) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine
PubChem CID67084457
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine
SMILESClc1ccc(C#CCC2CCNCC2)cc1
InChIInChI=1S/C14H16ClN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,3,8-11H2
InChIKeyFKJXUTBXSDGIQB-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.08
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 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine (CID 67084457) is 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine is Clc1ccc(C#CCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine?
The InChIKey is FKJXUTBXSDGIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,3,8-11H2.
What are the key properties of 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine?
4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine has a molecular weight of 233.74 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)prop-2-ynyl]piperidine is sourced from PubChem (CID 67084457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).