(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine

C12H17FN2 — CID 69487151

IUPAC(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(CC[C@H]2CNCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1
InChIKeyPSHBGDNONZWLED-LBPRGKRZSA-N
MW208.28 g/mol
LogP1.32
Rot. Bonds3

About (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine

(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine (PubChem CID 69487151) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
PubChem CID69487151
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(CC[C@H]2CNCCN2)cc1
InChIInChI=1S/C12H17FN2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1
InChIKeyPSHBGDNONZWLED-LBPRGKRZSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine (CID 69487151) is (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine is Fc1ccc(CC[C@H]2CNCCN2)cc1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is PSHBGDNONZWLED-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-2,4-5,12,14-15H,3,6-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine?
(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 208.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 69487151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).