2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine

C17H28N2 — CID 64940709

IUPAC2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccccc1CN1CC(C)(C)NCC1CC
InChIInChI=1S/C17H28N2/c1-5-14-9-7-8-10-15(14)12-19-13-17(3,4)18-11-16(19)6-2/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyUVBDDOHBWJSLPN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds4

About 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine

2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64940709) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
PubChem CID64940709
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
SMILESCCc1ccccc1CN1CC(C)(C)NCC1CC
InChIInChI=1S/C17H28N2/c1-5-14-9-7-8-10-15(14)12-19-13-17(3,4)18-11-16(19)6-2/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyUVBDDOHBWJSLPN-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine (CID 64940709) is 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine is CCc1ccccc1CN1CC(C)(C)NCC1CC.
What is the InChIKey of 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is UVBDDOHBWJSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14-9-7-8-10-15(14)12-19-13-17(3,4)18-11-16(19)6-2/h7-10,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine?
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64940709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).