5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine

C18H30N2 — CID 104830183

IUPAC5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1C(C)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-14-12-19-17(11-16-9-7-6-8-10-16)13-20(14)15(2)18(3,4)5/h6-10,14-15,17,19H,11-13H2,1-5H3
InChIKeyZYRALYBJPBJCLC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds3

About 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine

5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine (PubChem CID 104830183) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
PubChem CID104830183
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1C(C)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-14-12-19-17(11-16-9-7-6-8-10-16)13-20(14)15(2)18(3,4)5/h6-10,14-15,17,19H,11-13H2,1-5H3
InChIKeyZYRALYBJPBJCLC-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
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5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
3-benzyl-7-methyl-1-pentan-2-yl-1,4-diazepane
CID 107888724
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine
CID 64939061
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CID 64936340
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine (CID 104830183) is 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine is CC1CNC(Cc2ccccc2)CN1C(C)C(C)(C)C.
What is the InChIKey of 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine?
The InChIKey is ZYRALYBJPBJCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-12-19-17(11-16-9-7-6-8-10-16)13-20(14)15(2)18(3,4)5/h6-10,14-15,17,19H,11-13H2,1-5H3.
What are the key properties of 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine?
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine is sourced from PubChem (CID 104830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).