5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine

C19H32N2 — CID 65043153

IUPAC5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
SMILESCCC(CC)(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C19H32N2/c1-5-19(6-2,7-3)21-15-18(20-14-16(21)4)13-17-11-9-8-10-12-17/h8-12,16,18,20H,5-7,13-15H2,1-4H3
InChIKeyOYIWYTIJGIGMEL-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds6

About 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine

5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine (PubChem CID 65043153) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
PubChem CID65043153
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
SMILESCCC(CC)(CC)N1CC(Cc2ccccc2)NCC1C
InChIInChI=1S/C19H32N2/c1-5-19(6-2,7-3)21-15-18(20-14-16(21)4)13-17-11-9-8-10-12-17/h8-12,16,18,20H,5-7,13-15H2,1-4H3
InChIKeyOYIWYTIJGIGMEL-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
5-benzyl-1-cyclopropyl-2-methylpiperazine
CID 64954279
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
3-benzyl-1-(3-ethylpentan-3-yl)-1,4-diazepane
CID 65043688
3-(5-benzyl-2-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936533
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
5-benzyl-2-methyl-1-(thian-2-ylmethyl)piperazine
CID 80610250

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine (CID 65043153) is 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine is CCC(CC)(CC)N1CC(Cc2ccccc2)NCC1C.
What is the InChIKey of 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine?
The InChIKey is OYIWYTIJGIGMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(6-2,7-3)21-15-18(20-14-16(21)4)13-17-11-9-8-10-12-17/h8-12,16,18,20H,5-7,13-15H2,1-4H3.
What are the key properties of 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine?
5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine is sourced from PubChem (CID 65043153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).