1-benzyl-2-tert-butyl-5,5-dimethylpiperazine

C17H28N2 — CID 64839732

IUPAC1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-11-18-17(4,5)13-19(15)12-14-9-7-6-8-10-14/h6-10,15,18H,11-13H2,1-5H3
InChIKeyVCGYKPMDRVNRGQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds2

About 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine

1-benzyl-2-tert-butyl-5,5-dimethylpiperazine (PubChem CID 64839732) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
PubChem CID64839732
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H28N2/c1-16(2,3)15-11-18-17(4,5)13-19(15)12-14-9-7-6-8-10-14/h6-10,15,18H,11-13H2,1-5H3
InChIKeyVCGYKPMDRVNRGQ-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine 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 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine?
The IUPAC name of 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine (CID 64839732) is 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine is CC1(C)CN(Cc2ccccc2)C(C(C)(C)C)CN1.
What is the InChIKey of 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine?
The InChIKey is VCGYKPMDRVNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)15-11-18-17(4,5)13-19(15)12-14-9-7-6-8-10-14/h6-10,15,18H,11-13H2,1-5H3.
What are the key properties of 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine?
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine has a molecular weight of 260.43 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 1-benzyl-2-tert-butyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64839732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).