(2S)-2-(4-imidazol-1-ylphenyl)piperazine

C13H16N4 — CID 174526627

IUPAC(2S)-2-(4-imidazol-1-ylphenyl)piperazine
SMILESc1cn(-c2ccc([C@H]3CNCCN3)cc2)cn1
InChIInChI=1S/C13H16N4/c1-3-12(17-8-7-15-10-17)4-2-11(1)13-9-14-5-6-16-13/h1-4,7-8,10,13-14,16H,5-6,9H2/t13-/m1/s1
InChIKeyQSMNILUNMDMGTF-CYBMUJFWSA-N
MW228.30 g/mol
LogP1.11
Rot. Bonds2

About (2S)-2-(4-imidazol-1-ylphenyl)piperazine

(2S)-2-(4-imidazol-1-ylphenyl)piperazine (PubChem CID 174526627) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is (2S)-2-(4-imidazol-1-ylphenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(4-imidazol-1-ylphenyl)piperazine
PubChem CID174526627
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name(2S)-2-(4-imidazol-1-ylphenyl)piperazine
SMILESc1cn(-c2ccc([C@H]3CNCCN3)cc2)cn1
InChIInChI=1S/C13H16N4/c1-3-12(17-8-7-15-10-17)4-2-11(1)13-9-14-5-6-16-13/h1-4,7-8,10,13-14,16H,5-6,9H2/t13-/m1/s1
InChIKeyQSMNILUNMDMGTF-CYBMUJFWSA-N
XLogP1.11
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-imidazol-1-ylphenyl)piperazine?
The IUPAC name of (2S)-2-(4-imidazol-1-ylphenyl)piperazine (CID 174526627) is (2S)-2-(4-imidazol-1-ylphenyl)piperazine.
What is the SMILES notation for (2S)-2-(4-imidazol-1-ylphenyl)piperazine?
The canonical SMILES for (2S)-2-(4-imidazol-1-ylphenyl)piperazine is c1cn(-c2ccc([C@H]3CNCCN3)cc2)cn1.
What is the InChIKey of (2S)-2-(4-imidazol-1-ylphenyl)piperazine?
The InChIKey is QSMNILUNMDMGTF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-12(17-8-7-15-10-17)4-2-11(1)13-9-14-5-6-16-13/h1-4,7-8,10,13-14,16H,5-6,9H2/t13-/m1/s1.
What are the key properties of (2S)-2-(4-imidazol-1-ylphenyl)piperazine?
(2S)-2-(4-imidazol-1-ylphenyl)piperazine has a molecular weight of 228.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-imidazol-1-ylphenyl)piperazine is sourced from PubChem (CID 174526627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).