1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine

C19H18FN3 — CID 20763871

IUPAC1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine
SMILESC=C(C#Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN3/c1-16(5-6-17-7-9-18(20)10-8-17)22-12-14-23(15-13-22)19-4-2-3-11-21-19/h2-4,7-11H,1,12-15H2
InChIKeyRHGMFASYQJOGNU-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.91
Rot. Bonds2

About 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine

1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine (PubChem CID 20763871) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine
PubChem CID20763871
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine
SMILESC=C(C#Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18FN3/c1-16(5-6-17-7-9-18(20)10-8-17)22-12-14-23(15-13-22)19-4-2-3-11-21-19/h2-4,7-11H,1,12-15H2
InChIKeyRHGMFASYQJOGNU-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.91
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-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine (CID 20763871) is 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine is C=C(C#Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is RHGMFASYQJOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-16(5-6-17-7-9-18(20)10-8-17)22-12-14-23(15-13-22)19-4-2-3-11-21-19/h2-4,7-11H,1,12-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine?
1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 307.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)but-1-en-3-yn-2-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 20763871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).