1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine

C19H20FN3 — CID 10566851

IUPAC1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
SMILESFc1ccc(N2CCN(CCC#Cc3cccnc3)CC2)cc1
InChIInChI=1S/C19H20FN3/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-2-1-4-17-5-3-10-21-16-17/h3,5-10,16H,2,11-15H2
InChIKeyKPSYTMDZRNIFGA-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine

1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine (PubChem CID 10566851) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
PubChem CID10566851
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
SMILESFc1ccc(N2CCN(CCC#Cc3cccnc3)CC2)cc1
InChIInChI=1S/C19H20FN3/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-2-1-4-17-5-3-10-21-16-17/h3,5-10,16H,2,11-15H2
InChIKeyKPSYTMDZRNIFGA-UHFFFAOYSA-N
XLogP2.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine (CID 10566851) is 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine is Fc1ccc(N2CCN(CCC#Cc3cccnc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The InChIKey is KPSYTMDZRNIFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-2-1-4-17-5-3-10-21-16-17/h3,5-10,16H,2,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine has a molecular weight of 309.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine is sourced from PubChem (CID 10566851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).