(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone

C10H19N3O2 — CID 59620107

IUPAC(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
SMILES[CH2-][NH+]1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H19N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h11H,1-9H2
InChIKeyJHZIJTKTXUBZIR-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.57
Rot. Bonds

About (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone

(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone (PubChem CID 59620107) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
PubChem CID59620107
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone
SMILES[CH2-][NH+]1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C10H19N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h11H,1-9H2
InChIKeyJHZIJTKTXUBZIR-UHFFFAOYSA-N
XLogP-1.57
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone (CID 59620107) is (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone is [CH2-][NH+]1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone?
The InChIKey is JHZIJTKTXUBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-2-4-12(5-3-11)10(14)13-6-8-15-9-7-13/h11H,1-9H2.
What are the key properties of (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone?
(4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone has a molecular weight of 213.28 g/mol, XLogP of -1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanidylpiperazin-4-ium-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 59620107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).