1-but-3-yn-2-yl-3-cyclopropylpiperazine

C11H18N2 — CID 114420475

IUPAC1-but-3-yn-2-yl-3-cyclopropylpiperazine
SMILESC#CC(C)N1CCNC(C2CC2)C1
InChIInChI=1S/C11H18N2/c1-3-9(2)13-7-6-12-11(8-13)10-4-5-10/h1,9-12H,4-8H2,2H3
InChIKeyVUJDPMNFMVJHLI-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.69
Rot. Bonds2

About 1-but-3-yn-2-yl-3-cyclopropylpiperazine

1-but-3-yn-2-yl-3-cyclopropylpiperazine (PubChem CID 114420475) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-3-cyclopropylpiperazine.

Molecular Properties

Compound Name1-but-3-yn-2-yl-3-cyclopropylpiperazine
PubChem CID114420475
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-but-3-yn-2-yl-3-cyclopropylpiperazine
SMILESC#CC(C)N1CCNC(C2CC2)C1
InChIInChI=1S/C11H18N2/c1-3-9(2)13-7-6-12-11(8-13)10-4-5-10/h1,9-12H,4-8H2,2H3
InChIKeyVUJDPMNFMVJHLI-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.69
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-yn-2-yl-3-cyclopropylpiperazine?
The IUPAC name of 1-but-3-yn-2-yl-3-cyclopropylpiperazine (CID 114420475) is 1-but-3-yn-2-yl-3-cyclopropylpiperazine.
What is the SMILES notation for 1-but-3-yn-2-yl-3-cyclopropylpiperazine?
The canonical SMILES for 1-but-3-yn-2-yl-3-cyclopropylpiperazine is C#CC(C)N1CCNC(C2CC2)C1.
What is the InChIKey of 1-but-3-yn-2-yl-3-cyclopropylpiperazine?
The InChIKey is VUJDPMNFMVJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-9(2)13-7-6-12-11(8-13)10-4-5-10/h1,9-12H,4-8H2,2H3.
What are the key properties of 1-but-3-yn-2-yl-3-cyclopropylpiperazine?
1-but-3-yn-2-yl-3-cyclopropylpiperazine has a molecular weight of 178.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yl-3-cyclopropylpiperazine is sourced from PubChem (CID 114420475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).