1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine

C21H21FN2S — CID 22762532

IUPAC1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C21H21FN2S/c22-18-6-8-19(9-7-18)24-14-12-23(13-15-24)16-20-10-11-21(25-20)17-4-2-1-3-5-17/h1-11H,12-16H2
InChIKeyQEBDKGDXINTUQR-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine

1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine (PubChem CID 22762532) has the molecular formula C21H21FN2S and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
PubChem CID22762532
Molecular FormulaC21H21FN2S
Molecular Weight352.48 g/mol
Exact Mass352.14
IUPAC Name1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C21H21FN2S/c22-18-6-8-19(9-7-18)24-14-12-23(13-15-24)16-20-10-11-21(25-20)17-4-2-1-3-5-17/h1-11H,12-16H2
InChIKeyQEBDKGDXINTUQR-UHFFFAOYSA-N
XLogP4.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine (CID 22762532) is 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine is Fc1ccc(N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine?
The InChIKey is QEBDKGDXINTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2S/c22-18-6-8-19(9-7-18)24-14-12-23(13-15-24)16-20-10-11-21(25-20)17-4-2-1-3-5-17/h1-11H,12-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine has a molecular weight of 352.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 22762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).