2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine

C16H20FN3S — CID 16642689

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3S/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h1-6,11,15H,7-10,12,18H2
InChIKeyDESIPSSAVWXKCA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine (PubChem CID 16642689) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
PubChem CID16642689
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3S/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h1-6,11,15H,7-10,12,18H2
InChIKeyDESIPSSAVWXKCA-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine (CID 16642689) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine is NCC(c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
The InChIKey is DESIPSSAVWXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c17-13-3-5-14(6-4-13)19-7-9-20(10-8-19)15(12-18)16-2-1-11-21-16/h1-6,11,15H,7-10,12,18H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine has a molecular weight of 305.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 16642689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).