(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium

C9H18N4O5 — CID 134986746

IUPAC(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium
SMILESCC(=O)OCO/N=[N+](\[O-])N1CCN(CCO)CC1
InChIInChI=1S/C9H18N4O5/c1-9(15)17-8-18-10-13(16)12-4-2-11(3-5-12)6-7-14/h14H,2-8H2,1H3/b13-10-
InChIKeyKUXGPTJBXZORBC-RAXLEYEMSA-N
MW262.27 g/mol
LogP-1.07
Rot. Bonds6

About (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium

(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium (PubChem CID 134986746) has the molecular formula C9H18N4O5 and a molecular weight of 262.27 g/mol. Its IUPAC name is (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium
PubChem CID134986746
Molecular FormulaC9H18N4O5
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium
SMILESCC(=O)OCO/N=[N+](\[O-])N1CCN(CCO)CC1
InChIInChI=1S/C9H18N4O5/c1-9(15)17-8-18-10-13(16)12-4-2-11(3-5-12)6-7-14/h14H,2-8H2,1H3/b13-10-
InChIKeyKUXGPTJBXZORBC-RAXLEYEMSA-N
XLogP-1.07
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium?
The IUPAC name of (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium (CID 134986746) is (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium.
What is the SMILES notation for (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium?
The canonical SMILES for (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium is CC(=O)OCO/N=[N+](\[O-])N1CCN(CCO)CC1.
What is the InChIKey of (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium?
The InChIKey is KUXGPTJBXZORBC-RAXLEYEMSA-N. The full InChI is InChI=1S/C9H18N4O5/c1-9(15)17-8-18-10-13(16)12-4-2-11(3-5-12)6-7-14/h14H,2-8H2,1H3/b13-10-.
What are the key properties of (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium?
(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium has a molecular weight of 262.27 g/mol, XLogP of -1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium is sourced from PubChem (CID 134986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).