1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine

C12H22N2 — CID 114420424

IUPAC1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
SMILESC#CC(C)N1CC(C)NCC1C(C)C
InChIInChI=1S/C12H22N2/c1-6-11(5)14-8-10(4)13-7-12(14)9(2)3/h1,9-13H,7-8H2,2-5H3
InChIKeyPTMLLFDJGOMNQZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

About 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine

1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 114420424) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
PubChem CID114420424
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine
SMILESC#CC(C)N1CC(C)NCC1C(C)C
InChIInChI=1S/C12H22N2/c1-6-11(5)14-8-10(4)13-7-12(14)9(2)3/h1,9-13H,7-8H2,2-5H3
InChIKeyPTMLLFDJGOMNQZ-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
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-5-methyl-2-propan-2-ylpiperazine 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

1-but-3-ynyl-5-methyl-2-propan-2-ylpiperazine
CID 64939157
5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
CID 106027152
5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
CID 64936589
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
CID 106224498
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937944
1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937506
1-but-3-yn-2-yl-2-methyl-5-(2-methylpropyl)piperazine
CID 114420418
5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
CID 64937748
5-methyl-1-(2-piperidin-1-ylethyl)-2-propan-2-ylpiperazine
CID 82245206

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine (CID 114420424) is 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine is C#CC(C)N1CC(C)NCC1C(C)C.
What is the InChIKey of 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is PTMLLFDJGOMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(5)14-8-10(4)13-7-12(14)9(2)3/h1,9-13H,7-8H2,2-5H3.
What are the key properties of 1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine?
1-but-3-yn-2-yl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 2 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-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 114420424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).