5-benzyl-1-tert-butyl-2-methylpiperazine

C16H26N2 — CID 64952465

IUPAC5-benzyl-1-tert-butyl-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1C(C)(C)C
InChIInChI=1S/C16H26N2/c1-13-11-17-15(12-18(13)16(2,3)4)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyUKMLDCMSWGENNE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds2

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

5-benzyl-1-tert-butyl-2-methylpiperazine (PubChem CID 64952465) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-benzyl-1-tert-butyl-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-tert-butyl-2-methylpiperazine
PubChem CID64952465
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-benzyl-1-tert-butyl-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1C(C)(C)C
InChIInChI=1S/C16H26N2/c1-13-11-17-15(12-18(13)16(2,3)4)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3
InChIKeyUKMLDCMSWGENNE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-1-tert-butyl-2-methylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine
CID 64850127
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82248267

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-tert-butyl-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-tert-butyl-2-methylpiperazine (CID 64952465) is 5-benzyl-1-tert-butyl-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-tert-butyl-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-tert-butyl-2-methylpiperazine is CC1CNC(Cc2ccccc2)CN1C(C)(C)C.
What is the InChIKey of 5-benzyl-1-tert-butyl-2-methylpiperazine?
The InChIKey is UKMLDCMSWGENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-11-17-15(12-18(13)16(2,3)4)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3.
What are the key properties of 5-benzyl-1-tert-butyl-2-methylpiperazine?
5-benzyl-1-tert-butyl-2-methylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 2 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-methylpiperazine is sourced from PubChem (CID 64952465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).