1-Phenethylpiperazine

C12H18N2 — CID 79214

IUPAC1-(2-phenylethyl)piperazine
SMILESC1CN(CCN1)CCC2=CC=CC=C2
InChIInChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
InChIKeyLKUAPSRIYZLAAO-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.60
Rot. Bonds3

About 1-Phenethylpiperazine

1-Phenethylpiperazine (PubChem CID 79214) has the molecular formula C12H18N2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-Phenethylpiperazine
PubChem CID79214
Molecular FormulaC12H18N2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name1-(2-phenylethyl)piperazine
SMILESC1CN(CCN1)CCC2=CC=CC=C2
InChIInChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
InChIKeyLKUAPSRIYZLAAO-UHFFFAOYSA-N
XLogP1.60
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity146

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-Phenethylpiperazine?
The IUPAC name of 1-Phenethylpiperazine (CID 79214) is 1-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-Phenethylpiperazine?
The canonical SMILES for 1-Phenethylpiperazine is C1CN(CCN1)CCC2=CC=CC=C2.
What is the InChIKey of 1-Phenethylpiperazine?
The InChIKey is LKUAPSRIYZLAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2.
What are the key properties of 1-Phenethylpiperazine?
1-Phenethylpiperazine has a molecular weight of 190.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenethylpiperazine is sourced from PubChem (CID 79214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).