1-but-3-ynylpiperazine;hydrochloride

C8H15ClN2 — CID 171379591

IUPAC1-but-3-ynylpiperazine;hydrochloride
SMILESC#CCCN1CCNCC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-2-3-6-10-7-4-9-5-8-10;/h1,9H,3-8H2;1H
InChIKeyHZMCPWGFVZBRKF-UHFFFAOYSA-N
MW174.67 g/mol
LogP0.34
Rot. Bonds2

About 1-but-3-ynylpiperazine;hydrochloride

1-but-3-ynylpiperazine;hydrochloride (PubChem CID 171379591) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-but-3-ynylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-but-3-ynylpiperazine;hydrochloride
PubChem CID171379591
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name1-but-3-ynylpiperazine;hydrochloride
SMILESC#CCCN1CCNCC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-2-3-6-10-7-4-9-5-8-10;/h1,9H,3-8H2;1H
InChIKeyHZMCPWGFVZBRKF-UHFFFAOYSA-N
XLogP0.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 50.34
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;hydrochloride?
The IUPAC name of 1-but-3-ynylpiperazine;hydrochloride (CID 171379591) is 1-but-3-ynylpiperazine;hydrochloride.
What is the SMILES notation for 1-but-3-ynylpiperazine;hydrochloride?
The canonical SMILES for 1-but-3-ynylpiperazine;hydrochloride is C#CCCN1CCNCC1.Cl.
What is the InChIKey of 1-but-3-ynylpiperazine;hydrochloride?
The InChIKey is HZMCPWGFVZBRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-2-3-6-10-7-4-9-5-8-10;/h1,9H,3-8H2;1H.
What are the key properties of 1-but-3-ynylpiperazine;hydrochloride?
1-but-3-ynylpiperazine;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 0.34, 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;hydrochloride is sourced from PubChem (CID 171379591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).