2-butan-2-yl-5-ethyl-1-heptylpiperazine

C17H36N2 — CID 64840963

IUPAC2-butan-2-yl-5-ethyl-1-heptylpiperazine
SMILESCCCCCCCN1CC(CC)NCC1C(C)CC
InChIInChI=1S/C17H36N2/c1-5-8-9-10-11-12-19-14-16(7-3)18-13-17(19)15(4)6-2/h15-18H,5-14H2,1-4H3
InChIKeyYUPUQSPIJQEKJY-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

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

2-butan-2-yl-5-ethyl-1-heptylpiperazine (PubChem CID 64840963) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-heptylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-heptylpiperazine
PubChem CID64840963
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-butan-2-yl-5-ethyl-1-heptylpiperazine
SMILESCCCCCCCN1CC(CC)NCC1C(C)CC
InChIInChI=1S/C17H36N2/c1-5-8-9-10-11-12-19-14-16(7-3)18-13-17(19)15(4)6-2/h15-18H,5-14H2,1-4H3
InChIKeyYUPUQSPIJQEKJY-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-5-ethyl-1-heptylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
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
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-heptylpiperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-heptylpiperazine (CID 64840963) is 2-butan-2-yl-5-ethyl-1-heptylpiperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-heptylpiperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-heptylpiperazine is CCCCCCCN1CC(CC)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-heptylpiperazine?
The InChIKey is YUPUQSPIJQEKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-8-9-10-11-12-19-14-16(7-3)18-13-17(19)15(4)6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-heptylpiperazine?
2-butan-2-yl-5-ethyl-1-heptylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 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-heptylpiperazine is sourced from PubChem (CID 64840963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).