1-but-3-ynylpiperazine

C8H14N2 — CID 24700258

IUPAC1-but-3-ynylpiperazine
SMILESC#CCCN1CCNCC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-9-5-8-10/h1,9H,3-8H2
InChIKeyZWKWOOLQWOHHSL-UHFFFAOYSA-N
MW138.21 g/mol
LogP-0.09
Rot. Bonds2

About 1-but-3-ynylpiperazine

1-but-3-ynylpiperazine (PubChem CID 24700258) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-but-3-ynylpiperazine.

Molecular Properties

Compound Name1-but-3-ynylpiperazine
PubChem CID24700258
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-but-3-ynylpiperazine
SMILESC#CCCN1CCNCC1
InChIInChI=1S/C8H14N2/c1-2-3-6-10-7-4-9-5-8-10/h1,9H,3-8H2
InChIKeyZWKWOOLQWOHHSL-UHFFFAOYSA-N
XLogP-0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynylpiperazine?
The IUPAC name of 1-but-3-ynylpiperazine (CID 24700258) is 1-but-3-ynylpiperazine.
What is the SMILES notation for 1-but-3-ynylpiperazine?
The canonical SMILES for 1-but-3-ynylpiperazine is C#CCCN1CCNCC1.
What is the InChIKey of 1-but-3-ynylpiperazine?
The InChIKey is ZWKWOOLQWOHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-6-10-7-4-9-5-8-10/h1,9H,3-8H2.
What are the key properties of 1-but-3-ynylpiperazine?
1-but-3-ynylpiperazine has a molecular weight of 138.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynylpiperazine is sourced from PubChem (CID 24700258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).