1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine

C20H20FN3S — CID 120910478

IUPAC1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)cc1
InChIInChI=1S/C20H20FN3S/c21-17-3-1-16(2-4-17)20-6-5-18(25-20)14-24-12-11-23-13-19(24)15-7-9-22-10-8-15/h1-10,19,23H,11-14H2
InChIKeyNBTHBYYSLBYZPL-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.10
Rot. Bonds4

About 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine

1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910478) has the molecular formula C20H20FN3S and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910478
Molecular FormulaC20H20FN3S
Molecular Weight353.47 g/mol
Exact Mass353.14
IUPAC Name1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)cc1
InChIInChI=1S/C20H20FN3S/c21-17-3-1-16(2-4-17)20-6-5-18(25-20)14-24-12-11-23-13-19(24)15-7-9-22-10-8-15/h1-10,19,23H,11-14H2
InChIKeyNBTHBYYSLBYZPL-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910428
1-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910482
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120909954
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767855
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine (CID 120910478) is 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine is Fc1ccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is NBTHBYYSLBYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S/c21-17-3-1-16(2-4-17)20-6-5-18(25-20)14-24-12-11-23-13-19(24)15-7-9-22-10-8-15/h1-10,19,23H,11-14H2.
What are the key properties of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 353.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).