5-tert-butyl-2-ethyl-1-phenylpiperazine

C16H26N2 — CID 64932615

IUPAC5-tert-butyl-2-ethyl-1-phenylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-13-11-17-15(16(2,3)4)12-18(13)14-9-7-6-8-10-14/h6-10,13,15,17H,5,11-12H2,1-4H3
InChIKeyXVRSDIUFGQGCDT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds2

About 5-tert-butyl-2-ethyl-1-phenylpiperazine

5-tert-butyl-2-ethyl-1-phenylpiperazine (PubChem CID 64932615) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-phenylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-phenylpiperazine
PubChem CID64932615
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-tert-butyl-2-ethyl-1-phenylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-13-11-17-15(16(2,3)4)12-18(13)14-9-7-6-8-10-14/h6-10,13,15,17H,5,11-12H2,1-4H3
InChIKeyXVRSDIUFGQGCDT-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-ethyl-1-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-phenylpiperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-phenylpiperazine (CID 64932615) is 5-tert-butyl-2-ethyl-1-phenylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-phenylpiperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-phenylpiperazine is CCC1CNC(C(C)(C)C)CN1c1ccccc1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-phenylpiperazine?
The InChIKey is XVRSDIUFGQGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-13-11-17-15(16(2,3)4)12-18(13)14-9-7-6-8-10-14/h6-10,13,15,17H,5,11-12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-phenylpiperazine?
5-tert-butyl-2-ethyl-1-phenylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-phenylpiperazine is sourced from PubChem (CID 64932615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).