1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine

C13H24N2 — CID 114420418

IUPAC1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine
SMILESC#CC(C)N1CC(CC(C)C)NCC1C
InChIInChI=1S/C13H24N2/c1-6-11(4)15-9-13(7-10(2)3)14-8-12(15)5/h1,10-14H,7-9H2,2-5H3
InChIKeyKUYINBKQNYRRQF-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds3

About 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine

1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 114420418) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID114420418
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine
SMILESC#CC(C)N1CC(CC(C)C)NCC1C
InChIInChI=1S/C13H24N2/c1-6-11(4)15-9-13(7-10(2)3)14-8-12(15)5/h1,10-14H,7-9H2,2-5H3
InChIKeyKUYINBKQNYRRQF-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine 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

5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
1-(4-methoxybutan-2-yl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64939365
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64843790
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
N,N-diethyl-2-methyl-5-(2-methylpropyl)piperazine-1-carboxamide
CID 82245441
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
CID 114420424
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine (CID 114420418) is 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine is C#CC(C)N1CC(CC(C)C)NCC1C.
What is the InChIKey of 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is KUYINBKQNYRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11(4)15-9-13(7-10(2)3)14-8-12(15)5/h1,10-14H,7-9H2,2-5H3.
What are the key properties of 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine?
1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 114420418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).