1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine

C15H16ClFN2S — CID 171175702

IUPAC1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1cc(Cl)ccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-11-3-4-12(13(17)10-11)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1
InChIKeyTZPQJXJLMOJVIH-HNNXBMFYSA-N
MW310.82 g/mol
LogP3.54
Rot. Bonds3

About 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171175702) has the molecular formula C15H16ClFN2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171175702
Molecular FormulaC15H16ClFN2S
Molecular Weight310.82 g/mol
Exact Mass310.07
IUPAC Name1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1cc(Cl)ccc1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S/c16-11-3-4-12(13(17)10-11)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1
InChIKeyTZPQJXJLMOJVIH-HNNXBMFYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine (CID 171175702) is 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine is Fc1cc(Cl)ccc1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is TZPQJXJLMOJVIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-11-3-4-12(13(17)10-11)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(4-chloro-2-fluorophenyl)-thiophen-2-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)-(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171175702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).