2-benzyl-5-ethyl-1-pentylpiperazine

C18H30N2 — CID 64843710

IUPAC2-benzyl-5-ethyl-1-pentylpiperazine
SMILESCCCCCN1CC(CC)NCC1Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-5-9-12-20-15-17(4-2)19-14-18(20)13-16-10-7-6-8-11-16/h6-8,10-11,17-19H,3-5,9,12-15H2,1-2H3
InChIKeyQKEWZUJJCZKVJZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds7

About 2-benzyl-5-ethyl-1-pentylpiperazine

2-benzyl-5-ethyl-1-pentylpiperazine (PubChem CID 64843710) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-pentylpiperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-pentylpiperazine
PubChem CID64843710
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-benzyl-5-ethyl-1-pentylpiperazine
SMILESCCCCCN1CC(CC)NCC1Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-5-9-12-20-15-17(4-2)19-14-18(20)13-16-10-7-6-8-11-16/h6-8,10-11,17-19H,3-5,9,12-15H2,1-2H3
InChIKeyQKEWZUJJCZKVJZ-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
2-benzyl-1-octylaziridine
CID 102467094
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
2-benzyl-1-butyl-5-cyclopropylpiperazine
CID 64860330
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
5-benzyl-1-(2-methoxyethyl)-2-propylpiperazine
CID 64848203
2-benzyl-1-(cyclobutylmethyl)-5-propylpiperazine
CID 65463489

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-pentylpiperazine?
The IUPAC name of 2-benzyl-5-ethyl-1-pentylpiperazine (CID 64843710) is 2-benzyl-5-ethyl-1-pentylpiperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-1-pentylpiperazine?
The canonical SMILES for 2-benzyl-5-ethyl-1-pentylpiperazine is CCCCCN1CC(CC)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-ethyl-1-pentylpiperazine?
The InChIKey is QKEWZUJJCZKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-5-9-12-20-15-17(4-2)19-14-18(20)13-16-10-7-6-8-11-16/h6-8,10-11,17-19H,3-5,9,12-15H2,1-2H3.
What are the key properties of 2-benzyl-5-ethyl-1-pentylpiperazine?
2-benzyl-5-ethyl-1-pentylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-pentylpiperazine is sourced from PubChem (CID 64843710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).