2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine

C19H40N2 — CID 64850090

IUPAC2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
SMILESCCCCCCCN1CC(CC(C)C)NCC1C(C)CC
InChIInChI=1S/C19H40N2/c1-6-8-9-10-11-12-21-15-18(13-16(3)4)20-14-19(21)17(5)7-2/h16-20H,6-15H2,1-5H3
InChIKeyMNBQYOMIMWWWJE-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds10

About 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine

2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine (PubChem CID 64850090) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
PubChem CID64850090
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
SMILESCCCCCCCN1CC(CC(C)C)NCC1C(C)CC
InChIInChI=1S/C19H40N2/c1-6-8-9-10-11-12-21-15-18(13-16(3)4)20-14-19(21)17(5)7-2/h16-20H,6-15H2,1-5H3
InChIKeyMNBQYOMIMWWWJE-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
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-octylpiperazine
CID 64842711
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine (CID 64850090) is 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine is CCCCCCCN1CC(CC(C)C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine?
The InChIKey is MNBQYOMIMWWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-8-9-10-11-12-21-15-18(13-16(3)4)20-14-19(21)17(5)7-2/h16-20H,6-15H2,1-5H3.
What are the key properties of 2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine?
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 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-1-heptyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64850090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).