1-hex-2-ynyl-4-methylpiperazine

C11H20N2 — CID 5233595

IUPAC1-hex-2-ynyl-4-methylpiperazine
SMILESCCCC#CCN1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,7-11H2,1-2H3
InChIKeyIMZPZFJITPTSHG-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.04
Rot. Bonds2

About 1-hex-2-ynyl-4-methylpiperazine

1-hex-2-ynyl-4-methylpiperazine (PubChem CID 5233595) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-hex-2-ynyl-4-methylpiperazine.

Molecular Properties

Compound Name1-hex-2-ynyl-4-methylpiperazine
PubChem CID5233595
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-hex-2-ynyl-4-methylpiperazine
SMILESCCCC#CCN1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,7-11H2,1-2H3
InChIKeyIMZPZFJITPTSHG-UHFFFAOYSA-N
XLogP1.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
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-hex-2-ynyl-4-methylpiperazine?
The IUPAC name of 1-hex-2-ynyl-4-methylpiperazine (CID 5233595) is 1-hex-2-ynyl-4-methylpiperazine.
What is the SMILES notation for 1-hex-2-ynyl-4-methylpiperazine?
The canonical SMILES for 1-hex-2-ynyl-4-methylpiperazine is CCCC#CCN1CCN(C)CC1.
What is the InChIKey of 1-hex-2-ynyl-4-methylpiperazine?
The InChIKey is IMZPZFJITPTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,7-11H2,1-2H3.
What are the key properties of 1-hex-2-ynyl-4-methylpiperazine?
1-hex-2-ynyl-4-methylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-2-ynyl-4-methylpiperazine is sourced from PubChem (CID 5233595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).