1-[(2-ethylphenyl)methyl]piperazine

C13H20N2 — CID 62415674

IUPAC1-[(2-ethylphenyl)methyl]piperazine
SMILESCCc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H20N2/c1-2-12-5-3-4-6-13(12)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyLPKSOHIRDJRNQK-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.65
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]piperazine

1-[(2-ethylphenyl)methyl]piperazine (PubChem CID 62415674) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]piperazine
PubChem CID62415674
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(2-ethylphenyl)methyl]piperazine
SMILESCCc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H20N2/c1-2-12-5-3-4-6-13(12)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyLPKSOHIRDJRNQK-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
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-[(2-ethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]piperazine (CID 62415674) is 1-[(2-ethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]piperazine is CCc1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]piperazine?
The InChIKey is LPKSOHIRDJRNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-12-5-3-4-6-13(12)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]piperazine?
1-[(2-ethylphenyl)methyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]piperazine is sourced from PubChem (CID 62415674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).