(1-methylpiperazin-1-ium-1-yl)arsane

C5H14AsN2+ — CID 173369166

IUPAC(1-methylpiperazin-1-ium-1-yl)arsane
SMILESC[N+]1([AsH2])CCNCC1
InChIInChI=1S/C5H14AsN2/c1-8(6)4-2-7-3-5-8/h7H,2-6H2,1H3/q+1
InChIKeyRDMGWKBDVKNUNX-UHFFFAOYSA-N
MW177.10 g/mol
LogP-1.42
Rot. Bonds

About (1-methylpiperazin-1-ium-1-yl)arsane

(1-methylpiperazin-1-ium-1-yl)arsane (PubChem CID 173369166) has the molecular formula C5H14AsN2+ and a molecular weight of 177.10 g/mol. Its IUPAC name is (1-methylpiperazin-1-ium-1-yl)arsane.

Molecular Properties

Compound Name(1-methylpiperazin-1-ium-1-yl)arsane
PubChem CID173369166
Molecular FormulaC5H14AsN2+
Molecular Weight177.10 g/mol
Exact Mass177.04
IUPAC Name(1-methylpiperazin-1-ium-1-yl)arsane
SMILESC[N+]1([AsH2])CCNCC1
InChIInChI=1S/C5H14AsN2/c1-8(6)4-2-7-3-5-8/h7H,2-6H2,1H3/q+1
InChIKeyRDMGWKBDVKNUNX-UHFFFAOYSA-N
XLogP-1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.10
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperazin-1-ium-1-yl)arsane?
The IUPAC name of (1-methylpiperazin-1-ium-1-yl)arsane (CID 173369166) is (1-methylpiperazin-1-ium-1-yl)arsane.
What is the SMILES notation for (1-methylpiperazin-1-ium-1-yl)arsane?
The canonical SMILES for (1-methylpiperazin-1-ium-1-yl)arsane is C[N+]1([AsH2])CCNCC1.
What is the InChIKey of (1-methylpiperazin-1-ium-1-yl)arsane?
The InChIKey is RDMGWKBDVKNUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14AsN2/c1-8(6)4-2-7-3-5-8/h7H,2-6H2,1H3/q+1.
What are the key properties of (1-methylpiperazin-1-ium-1-yl)arsane?
(1-methylpiperazin-1-ium-1-yl)arsane has a molecular weight of 177.10 g/mol, XLogP of -1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperazin-1-ium-1-yl)arsane is sourced from PubChem (CID 173369166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).