1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium

C10H17N3 — CID 59030490

IUPAC1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
SMILES[CH2-][NH+]1CCN(C2C=CC=CN2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-5,10-12H,1,6-9H2
InChIKeyLHEJKDRYEBIAOO-UHFFFAOYSA-N
MW179.27 g/mol
LogP-1.02
Rot. Bonds1

About 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium

1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium (PubChem CID 59030490) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
PubChem CID59030490
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium
SMILES[CH2-][NH+]1CCN(C2C=CC=CN2)CC1
InChIInChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-5,10-12H,1,6-9H2
InChIKeyLHEJKDRYEBIAOO-UHFFFAOYSA-N
XLogP-1.02
TPSA19.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazinoazepine
CID 22179361
Tetrahydropyrido[1,2-a]pyrimidine
CID 67149079
1-[3-(Trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine
CID 143304969
2,3,4,9a-tetrahydro-1H-pyrido[1,2-a]pyrimidine
CID 421480
1-(2-methyl-1H-pyridin-2-yl)piperazine
CID 18418877
N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 19041019
1-(1,2-Dihydropyridin-2-yl)-4-methylpiperazine
CID 19041060
1-(1-piperazin-1-ylethyl)-2H-pyridin-4-amine
CID 19068068
1-[1-(2H-pyridin-1-yl)ethyl]piperazine
CID 20432982
2-Piperidin-1-yl-1,2-dihydropyridine
CID 21878399
1-(1,2-Dihydropyridin-6-yl)-4-methylpiperazine
CID 22636472
2-(2H-pyridin-1-yl)piperazine
CID 56620287

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium?
The IUPAC name of 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium (CID 59030490) is 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium.
What is the SMILES notation for 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium?
The canonical SMILES for 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium is [CH2-][NH+]1CCN(C2C=CC=CN2)CC1.
What is the InChIKey of 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium?
The InChIKey is LHEJKDRYEBIAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-5,10-12H,1,6-9H2.
What are the key properties of 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium?
1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium has a molecular weight of 179.27 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-2-yl)-4-methanidylpiperazin-4-ium is sourced from PubChem (CID 59030490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).