2-butan-2-yl-5-ethyl-1-octylpiperazine

C18H38N2 — CID 64842711

IUPAC2-butan-2-yl-5-ethyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(CC)NCC1C(C)CC
InChIInChI=1S/C18H38N2/c1-5-8-9-10-11-12-13-20-15-17(7-3)19-14-18(20)16(4)6-2/h16-19H,5-15H2,1-4H3
InChIKeyHXEOJWUXVSPZEM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds10

About 2-butan-2-yl-5-ethyl-1-octylpiperazine

2-butan-2-yl-5-ethyl-1-octylpiperazine (PubChem CID 64842711) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-octylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-octylpiperazine
PubChem CID64842711
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-butan-2-yl-5-ethyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(CC)NCC1C(C)CC
InChIInChI=1S/C18H38N2/c1-5-8-9-10-11-12-13-20-15-17(7-3)19-14-18(20)16(4)6-2/h16-19H,5-15H2,1-4H3
InChIKeyHXEOJWUXVSPZEM-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
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-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-octylpiperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-octylpiperazine (CID 64842711) is 2-butan-2-yl-5-ethyl-1-octylpiperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-octylpiperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-octylpiperazine is CCCCCCCCN1CC(CC)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-octylpiperazine?
The InChIKey is HXEOJWUXVSPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-8-9-10-11-12-13-20-15-17(7-3)19-14-18(20)16(4)6-2/h16-19H,5-15H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-octylpiperazine?
2-butan-2-yl-5-ethyl-1-octylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-1-octylpiperazine is sourced from PubChem (CID 64842711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).