7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium

C13H22N4O — CID 20825780

IUPAC7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium
SMILES[CH2-][NH+]1CCn2c(cnc2N2CCC(OC)CC2)C1
InChIInChI=1S/C13H22N4O/c1-15-7-8-17-11(10-15)9-14-13(17)16-5-3-12(18-2)4-6-16/h9,12,15H,1,3-8,10H2,2H3
InChIKeyMXHCCUXMQFNFSY-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.31
Rot. Bonds2

About 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium

7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium (PubChem CID 20825780) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium.

Molecular Properties

Compound Name7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium
PubChem CID20825780
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium
SMILES[CH2-][NH+]1CCn2c(cnc2N2CCC(OC)CC2)C1
InChIInChI=1S/C13H22N4O/c1-15-7-8-17-11(10-15)9-14-13(17)16-5-3-12(18-2)4-6-16/h9,12,15H,1,3-8,10H2,2H3
InChIKeyMXHCCUXMQFNFSY-UHFFFAOYSA-N
XLogP-0.31
TPSA34.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium?
The IUPAC name of 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium (CID 20825780) is 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium.
What is the SMILES notation for 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium?
The canonical SMILES for 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium is [CH2-][NH+]1CCn2c(cnc2N2CCC(OC)CC2)C1.
What is the InChIKey of 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium?
The InChIKey is MXHCCUXMQFNFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-15-7-8-17-11(10-15)9-14-13(17)16-5-3-12(18-2)4-6-16/h9,12,15H,1,3-8,10H2,2H3.
What are the key properties of 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium?
7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium has a molecular weight of 250.35 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methanidyl-3-(4-methoxypiperidin-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-7-ium is sourced from PubChem (CID 20825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).