1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine

C15H16ClFN2S — CID 171175557

IUPAC1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-12-1-2-14(17)13(9-12)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m1/s1
InChIKeyXZLYGSRHBVPJCY-OAHLLOKOSA-N
MW310.82 g/mol
LogP3.54
Rot. Bonds3

About 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine

1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171175557) has the molecular formula C15H16ClFN2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171175557
Molecular FormulaC15H16ClFN2S
Molecular Weight310.82 g/mol
Exact Mass310.07
IUPAC Name1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc(Cl)cc1[C@@H](c1ccsc1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-12-1-2-14(17)13(9-12)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m1/s1
InChIKeyXZLYGSRHBVPJCY-OAHLLOKOSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine (CID 171175557) is 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine is Fc1ccc(Cl)cc1[C@@H](c1ccsc1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is XZLYGSRHBVPJCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-12-1-2-14(17)13(9-12)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m1/s1.
What are the key properties of 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 310.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-chloro-2-fluorophenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171175557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).