1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine

C20H20FN3S — CID 120910428

IUPAC1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)c1
InChIInChI=1S/C20H20FN3S/c21-17-3-1-2-16(12-17)20-5-4-18(25-20)14-24-11-10-23-13-19(24)15-6-8-22-9-7-15/h1-9,12,19,23H,10-11,13-14H2
InChIKeyXOUAXDKYNXHVJB-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.10
Rot. Bonds4

About 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine

1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910428) has the molecular formula C20H20FN3S and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910428
Molecular FormulaC20H20FN3S
Molecular Weight353.47 g/mol
Exact Mass353.14
IUPAC Name1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
SMILESFc1cccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)c1
InChIInChI=1S/C20H20FN3S/c21-17-3-1-2-16(12-17)20-5-4-18(25-20)14-24-11-10-23-13-19(24)15-6-8-22-9-7-15/h1-9,12,19,23H,10-11,13-14H2
InChIKeyXOUAXDKYNXHVJB-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-(4-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910478
1-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910482
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(4-phenylthiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine
CID 120909954
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767855
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine (CID 120910428) is 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine is Fc1cccc(-c2ccc(CN3CCNCC3c3ccncc3)s2)c1.
What is the InChIKey of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is XOUAXDKYNXHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S/c21-17-3-1-2-16(12-17)20-5-4-18(25-20)14-24-11-10-23-13-19(24)15-6-8-22-9-7-15/h1-9,12,19,23H,10-11,13-14H2.
What are the key properties of 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine?
1-[[5-(3-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-(3-fluorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).