5-tert-butyl-1-cyclobutyl-2-phenylpiperazine

C18H28N2 — CID 64947167

IUPAC5-tert-butyl-1-cyclobutyl-2-phenylpiperazine
SMILESCC(C)(C)C1CN(C2CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-18(2,3)17-13-20(15-10-7-11-15)16(12-19-17)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,7,10-13H2,1-3H3
InChIKeyUXVAFOGOGAWHPY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds2

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

5-tert-butyl-1-cyclobutyl-2-phenylpiperazine (PubChem CID 64947167) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-cyclobutyl-2-phenylpiperazine
PubChem CID64947167
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-tert-butyl-1-cyclobutyl-2-phenylpiperazine
SMILESCC(C)(C)C1CN(C2CCC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-18(2,3)17-13-20(15-10-7-11-15)16(12-19-17)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,7,10-13H2,1-3H3
InChIKeyUXVAFOGOGAWHPY-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1-cyclobutyl-2-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-1-cyclobutyl-2-phenylpiperazine?
The IUPAC name of 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine (CID 64947167) is 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine?
The canonical SMILES for 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine is CC(C)(C)C1CN(C2CCC2)C(c2ccccc2)CN1.
What is the InChIKey of 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine?
The InChIKey is UXVAFOGOGAWHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)17-13-20(15-10-7-11-15)16(12-19-17)14-8-5-4-6-9-14/h4-6,8-9,15-17,19H,7,10-13H2,1-3H3.
What are the key properties of 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine?
5-tert-butyl-1-cyclobutyl-2-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-cyclobutyl-2-phenylpiperazine is sourced from PubChem (CID 64947167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).