1-but-2-ynyl-4-(2-methylpropyl)piperazine

C12H22N2 — CID 167156529

IUPAC1-but-2-ynyl-4-(2-methylpropyl)piperazine
SMILESCC#CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C12H22N2/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)3/h12H,6-11H2,1-3H3
InChIKeyZLRQWHQFXQCJFG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.28
Rot. Bonds3

About 1-but-2-ynyl-4-(2-methylpropyl)piperazine

1-but-2-ynyl-4-(2-methylpropyl)piperazine (PubChem CID 167156529) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-but-2-ynyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-but-2-ynyl-4-(2-methylpropyl)piperazine
PubChem CID167156529
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-but-2-ynyl-4-(2-methylpropyl)piperazine
SMILESCC#CCN1CCN(CC(C)C)CC1
InChIInChI=1S/C12H22N2/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)3/h12H,6-11H2,1-3H3
InChIKeyZLRQWHQFXQCJFG-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-but-2-ynylpiperazin-1-yl)propanenitrile
CID 63339201
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
2-(4-but-2-ynylpiperazin-1-yl)ethanol
CID 62310008
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
1-(4-but-2-ynylpiperazin-1-yl)sulfonyl-4-methylpiperazine
CID 71999965
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-but-2-ynyl-4-(2-methylpropyl)piperazine (CID 167156529) is 1-but-2-ynyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-but-2-ynyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-but-2-ynyl-4-(2-methylpropyl)piperazine is CC#CCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-but-2-ynyl-4-(2-methylpropyl)piperazine?
The InChIKey is ZLRQWHQFXQCJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)3/h12H,6-11H2,1-3H3.
What are the key properties of 1-but-2-ynyl-4-(2-methylpropyl)piperazine?
1-but-2-ynyl-4-(2-methylpropyl)piperazine has a molecular weight of 194.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 167156529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).