5-benzyl-2-methyl-1-pentan-3-ylpiperazine

C17H28N2 — CID 64954473

IUPAC5-benzyl-2-methyl-1-pentan-3-ylpiperazine
SMILESCCC(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C17H28N2/c1-4-17(5-2)19-13-16(18-12-14(19)3)11-15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3
InChIKeyNFXSHVFEQXZLNU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds5

About 5-benzyl-2-methyl-1-pentan-3-ylpiperazine

5-benzyl-2-methyl-1-pentan-3-ylpiperazine (PubChem CID 64954473) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-pentan-3-ylpiperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-pentan-3-ylpiperazine
PubChem CID64954473
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-benzyl-2-methyl-1-pentan-3-ylpiperazine
SMILESCCC(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C17H28N2/c1-4-17(5-2)19-13-16(18-12-14(19)3)11-15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3
InChIKeyNFXSHVFEQXZLNU-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
CID 65043153
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
5-benzyl-1-(1-cyclopropylethyl)-2-ethylpiperazine
CID 64936340
3-benzyl-7-methyl-1-pentan-2-yl-1,4-diazepane
CID 107888724
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1-pentan-3-ylpiperazine?
The IUPAC name of 5-benzyl-2-methyl-1-pentan-3-ylpiperazine (CID 64954473) is 5-benzyl-2-methyl-1-pentan-3-ylpiperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-pentan-3-ylpiperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-pentan-3-ylpiperazine is CCC(CC)N1CC(Cc2ccccc2)NCC1C.
What is the InChIKey of 5-benzyl-2-methyl-1-pentan-3-ylpiperazine?
The InChIKey is NFXSHVFEQXZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(5-2)19-13-16(18-12-14(19)3)11-15-9-7-6-8-10-15/h6-10,14,16-18H,4-5,11-13H2,1-3H3.
What are the key properties of 5-benzyl-2-methyl-1-pentan-3-ylpiperazine?
5-benzyl-2-methyl-1-pentan-3-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 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-pentan-3-ylpiperazine is sourced from PubChem (CID 64954473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).