5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine

C14H26N2 — CID 64937442

IUPAC5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CC(C(C)CC)NCC1C
InChIInChI=1S/C14H26N2/c1-7-11(3)13-10-16(12(4)9-15-13)14(5,6)8-2/h2,11-13,15H,7,9-10H2,1,3-6H3
InChIKeyCFZLRGBIAJOGEL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds3

About 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine

5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine (PubChem CID 64937442) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine
PubChem CID64937442
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine
SMILESC#CC(C)(C)N1CC(C(C)CC)NCC1C
InChIInChI=1S/C14H26N2/c1-7-11(3)13-10-16(12(4)9-15-13)14(5,6)8-2/h2,11-13,15H,7,9-10H2,1,3-6H3
InChIKeyCFZLRGBIAJOGEL-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine
CID 64940286
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158815
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
CID 106224498

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine (CID 64937442) is 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine is C#CC(C)(C)N1CC(C(C)CC)NCC1C.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine?
The InChIKey is CFZLRGBIAJOGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-11(3)13-10-16(12(4)9-15-13)14(5,6)8-2/h2,11-13,15H,7,9-10H2,1,3-6H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine?
5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(2-methylbut-3-yn-2-yl)piperazine is sourced from PubChem (CID 64937442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).