5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine

C18H30N2 — CID 106329761

IUPAC5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
SMILESCCC(C)(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-5-18(4,6-2)20-14-17(19-13-15(20)3)12-16-10-8-7-9-11-16/h7-11,15,17,19H,5-6,12-14H2,1-4H3
InChIKeyYCKQGHUAWLLDGT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds5

About 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine

5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine (PubChem CID 106329761) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
PubChem CID106329761
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
SMILESCCC(C)(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-5-18(4,6-2)20-14-17(19-13-15(20)3)12-16-10-8-7-9-11-16/h7-11,15,17,19H,5-6,12-14H2,1-4H3
InChIKeyYCKQGHUAWLLDGT-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
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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-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
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-2-methyl-1-(3-methylpentan-3-yl)piperazine?
The IUPAC name of 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine (CID 106329761) is 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine is CCC(C)(CC)N1CC(Cc2ccccc2)NCC1C.
What is the InChIKey of 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine?
The InChIKey is YCKQGHUAWLLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(4,6-2)20-14-17(19-13-15(20)3)12-16-10-8-7-9-11-16/h7-11,15,17,19H,5-6,12-14H2,1-4H3.
What are the key properties of 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine?
5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine is sourced from PubChem (CID 106329761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).