5-benzyl-2-methyl-1-(4-methylpentyl)piperazine

C18H30N2 — CID 64937615

IUPAC5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-15(2)8-7-11-20-14-18(19-13-16(20)3)12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3
InChIKeyPYPFDZZGTZXJHZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds6

About 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine

5-benzyl-2-methyl-1-(4-methylpentyl)piperazine (PubChem CID 64937615) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
PubChem CID64937615
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-15(2)8-7-11-20-14-18(19-13-16(20)3)12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3
InChIKeyPYPFDZZGTZXJHZ-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3-benzyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83149660
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
5-benzyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055753
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
CID 107818456
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine?
The IUPAC name of 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine (CID 64937615) is 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine is CC(C)CCCN1CC(Cc2ccccc2)NCC1C.
What is the InChIKey of 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine?
The InChIKey is PYPFDZZGTZXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)8-7-11-20-14-18(19-13-16(20)3)12-17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3.
What are the key properties of 5-benzyl-2-methyl-1-(4-methylpentyl)piperazine?
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 6 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-(4-methylpentyl)piperazine is sourced from PubChem (CID 64937615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).