1-(1-phenylethyl)piperazine

C12H18N2 — CID 2737134

IUPAC1-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKeyPYBNQKSXWAIBKN-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.65
Rot. Bonds2

About 1-(1-phenylethyl)piperazine

1-(1-phenylethyl)piperazine (PubChem CID 2737134) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(1-phenylethyl)piperazine
PubChem CID2737134
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKeyPYBNQKSXWAIBKN-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)piperazine?
The IUPAC name of 1-(1-phenylethyl)piperazine (CID 2737134) is 1-(1-phenylethyl)piperazine.
What is the SMILES notation for 1-(1-phenylethyl)piperazine?
The canonical SMILES for 1-(1-phenylethyl)piperazine is CC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(1-phenylethyl)piperazine?
The InChIKey is PYBNQKSXWAIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 1-(1-phenylethyl)piperazine?
1-(1-phenylethyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)piperazine is sourced from PubChem (CID 2737134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).