4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine

C17H25N3O — CID 166839414

IUPAC4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine
SMILESC#Cc1ccc(N2CCN(CCOC)C(CCC)C2)nc1
InChIInChI=1S/C17H25N3O/c1-4-6-16-14-20(10-9-19(16)11-12-21-3)17-8-7-15(5-2)13-18-17/h2,7-8,13,16H,4,6,9-12,14H2,1,3H3
InChIKeyABGFBZMLKNLGGS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds6

About 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine

4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine (PubChem CID 166839414) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine.

Molecular Properties

Compound Name4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine
PubChem CID166839414
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine
SMILESC#Cc1ccc(N2CCN(CCOC)C(CCC)C2)nc1
InChIInChI=1S/C17H25N3O/c1-4-6-16-14-20(10-9-19(16)11-12-21-3)17-8-7-15(5-2)13-18-17/h2,7-8,13,16H,4,6,9-12,14H2,1,3H3
InChIKeyABGFBZMLKNLGGS-UHFFFAOYSA-N
XLogP2.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine?
The IUPAC name of 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine (CID 166839414) is 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine.
What is the SMILES notation for 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine?
The canonical SMILES for 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine is C#Cc1ccc(N2CCN(CCOC)C(CCC)C2)nc1.
What is the InChIKey of 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine?
The InChIKey is ABGFBZMLKNLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-16-14-20(10-9-19(16)11-12-21-3)17-8-7-15(5-2)13-18-17/h2,7-8,13,16H,4,6,9-12,14H2,1,3H3.
What are the key properties of 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine?
4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine has a molecular weight of 287.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethynyl-2-pyridinyl)-1-(2-methoxyethyl)-2-propylpiperazine is sourced from PubChem (CID 166839414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).