3-ethyl-1-methyl-5-phenylpiperazine

C13H20N2 — CID 82396475

IUPAC3-ethyl-1-methyl-5-phenylpiperazine
SMILESCCC1CN(C)CC(c2ccccc2)N1
InChIInChI=1S/C13H20N2/c1-3-12-9-15(2)10-13(14-12)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3
InChIKeyDIJNOYFPNOUTMP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.04
Rot. Bonds2

About 3-ethyl-1-methyl-5-phenylpiperazine

3-ethyl-1-methyl-5-phenylpiperazine (PubChem CID 82396475) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-phenylpiperazine
PubChem CID82396475
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-ethyl-1-methyl-5-phenylpiperazine
SMILESCCC1CN(C)CC(c2ccccc2)N1
InChIInChI=1S/C13H20N2/c1-3-12-9-15(2)10-13(14-12)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3
InChIKeyDIJNOYFPNOUTMP-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-phenylpiperazine?
The IUPAC name of 3-ethyl-1-methyl-5-phenylpiperazine (CID 82396475) is 3-ethyl-1-methyl-5-phenylpiperazine.
What is the SMILES notation for 3-ethyl-1-methyl-5-phenylpiperazine?
The canonical SMILES for 3-ethyl-1-methyl-5-phenylpiperazine is CCC1CN(C)CC(c2ccccc2)N1.
What is the InChIKey of 3-ethyl-1-methyl-5-phenylpiperazine?
The InChIKey is DIJNOYFPNOUTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-12-9-15(2)10-13(14-12)11-7-5-4-6-8-11/h4-8,12-14H,3,9-10H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-phenylpiperazine?
3-ethyl-1-methyl-5-phenylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-phenylpiperazine is sourced from PubChem (CID 82396475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).