1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine

C10H16N3- — CID 91076122

IUPAC1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine
SMILES[CH2-]N1CCN(C2C=CCC=N2)CC1
InChIInChI=1S/C10H16N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2,4-5,10H,1,3,6-9H2/q-1
InChIKeyZTXDFMBMJKEDSO-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.75
Rot. Bonds1

About 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine

1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine (PubChem CID 91076122) has the molecular formula C10H16N3- and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine.

Molecular Properties

Compound Name1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine
PubChem CID91076122
Molecular FormulaC10H16N3-
Molecular Weight178.26 g/mol
Exact Mass178.13
IUPAC Name1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine
SMILES[CH2-]N1CCN(C2C=CCC=N2)CC1
InChIInChI=1S/C10H16N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2,4-5,10H,1,3,6-9H2/q-1
InChIKeyZTXDFMBMJKEDSO-UHFFFAOYSA-N
XLogP0.75
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-Dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
CID 91076121
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine?
The IUPAC name of 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine (CID 91076122) is 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine.
What is the SMILES notation for 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine?
The canonical SMILES for 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine is [CH2-]N1CCN(C2C=CCC=N2)CC1.
What is the InChIKey of 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine?
The InChIKey is ZTXDFMBMJKEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2,4-5,10H,1,3,6-9H2/q-1.
What are the key properties of 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine?
1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine has a molecular weight of 178.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyridin-2-yl)-4-methanidylpiperazine is sourced from PubChem (CID 91076122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).