4-but-3-ynyl-1,2,2-trimethylpiperazine

C11H20N2 — CID 63657846

IUPAC4-but-3-ynyl-1,2,2-trimethylpiperazine
SMILESC#CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)11(2,3)10-13/h1H,6-10H2,2-4H3
InChIKeyMAKGQNILNZAINL-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.04
Rot. Bonds2

About 4-but-3-ynyl-1,2,2-trimethylpiperazine

4-but-3-ynyl-1,2,2-trimethylpiperazine (PubChem CID 63657846) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-but-3-ynyl-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-but-3-ynyl-1,2,2-trimethylpiperazine
PubChem CID63657846
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-but-3-ynyl-1,2,2-trimethylpiperazine
SMILESC#CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)11(2,3)10-13/h1H,6-10H2,2-4H3
InChIKeyMAKGQNILNZAINL-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 4-but-3-ynyl-1,2,2-trimethylpiperazine?
The IUPAC name of 4-but-3-ynyl-1,2,2-trimethylpiperazine (CID 63657846) is 4-but-3-ynyl-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-but-3-ynyl-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-but-3-ynyl-1,2,2-trimethylpiperazine is C#CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-but-3-ynyl-1,2,2-trimethylpiperazine?
The InChIKey is MAKGQNILNZAINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)11(2,3)10-13/h1H,6-10H2,2-4H3.
What are the key properties of 4-but-3-ynyl-1,2,2-trimethylpiperazine?
4-but-3-ynyl-1,2,2-trimethylpiperazine 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 4-but-3-ynyl-1,2,2-trimethylpiperazine is sourced from PubChem (CID 63657846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).