5-benzyl-1-tert-butyl-2-ethylpiperazine

C17H28N2 — CID 64952265

IUPAC5-benzyl-1-tert-butyl-2-ethylpiperazine
SMILESCCC1CNC(Cc2ccccc2)CN1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-5-16-12-18-15(13-19(16)17(2,3)4)11-14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3
InChIKeyHPQHKZHJDLLVEG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds3

About 5-benzyl-1-tert-butyl-2-ethylpiperazine

5-benzyl-1-tert-butyl-2-ethylpiperazine (PubChem CID 64952265) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-benzyl-1-tert-butyl-2-ethylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-tert-butyl-2-ethylpiperazine
PubChem CID64952265
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-benzyl-1-tert-butyl-2-ethylpiperazine
SMILESCCC1CNC(Cc2ccccc2)CN1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-5-16-12-18-15(13-19(16)17(2,3)4)11-14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3
InChIKeyHPQHKZHJDLLVEG-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-tert-butyl-2-ethylpiperazine?
The IUPAC name of 5-benzyl-1-tert-butyl-2-ethylpiperazine (CID 64952265) is 5-benzyl-1-tert-butyl-2-ethylpiperazine.
What is the SMILES notation for 5-benzyl-1-tert-butyl-2-ethylpiperazine?
The canonical SMILES for 5-benzyl-1-tert-butyl-2-ethylpiperazine is CCC1CNC(Cc2ccccc2)CN1C(C)(C)C.
What is the InChIKey of 5-benzyl-1-tert-butyl-2-ethylpiperazine?
The InChIKey is HPQHKZHJDLLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-16-12-18-15(13-19(16)17(2,3)4)11-14-9-7-6-8-10-14/h6-10,15-16,18H,5,11-13H2,1-4H3.
What are the key properties of 5-benzyl-1-tert-butyl-2-ethylpiperazine?
5-benzyl-1-tert-butyl-2-ethylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-tert-butyl-2-ethylpiperazine is sourced from PubChem (CID 64952265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).