2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine

C17H28N2 — CID 64842304

IUPAC2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CC(CC)NCC2CC)cc1
InChIInChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)12-19-13-16(5-2)18-11-17(19)6-3/h7-10,16-18H,4-6,11-13H2,1-3H3
InChIKeyDAAWMHCZRRKURA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine

2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine (PubChem CID 64842304) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
PubChem CID64842304
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CC(CC)NCC2CC)cc1
InChIInChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)12-19-13-16(5-2)18-11-17(19)6-3/h7-10,16-18H,4-6,11-13H2,1-3H3
InChIKeyDAAWMHCZRRKURA-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine (CID 64842304) is 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine is CCc1ccc(CN2CC(CC)NCC2CC)cc1.
What is the InChIKey of 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine?
The InChIKey is DAAWMHCZRRKURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)12-19-13-16(5-2)18-11-17(19)6-3/h7-10,16-18H,4-6,11-13H2,1-3H3.
What are the key properties of 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine?
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine is sourced from PubChem (CID 64842304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).