O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine

C12H20N4O — CID 143961834

IUPACO-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine
SMILESCCN1CCN(Cc2cnccc2ON)CC1
InChIInChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)10-11-9-14-4-3-12(11)17-13/h3-4,9H,2,5-8,10,13H2,1H3
InChIKeyGEKDZBXSMZYLHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.47
Rot. Bonds4

About O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine

O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine (PubChem CID 143961834) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine
PubChem CID143961834
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameO-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine
SMILESCCN1CCN(Cc2cnccc2ON)CC1
InChIInChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)10-11-9-14-4-3-12(11)17-13/h3-4,9H,2,5-8,10,13H2,1H3
InChIKeyGEKDZBXSMZYLHL-UHFFFAOYSA-N
XLogP0.47
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine?
The IUPAC name of O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine (CID 143961834) is O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine.
What is the SMILES notation for O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine?
The canonical SMILES for O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine is CCN1CCN(Cc2cnccc2ON)CC1.
What is the InChIKey of O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine?
The InChIKey is GEKDZBXSMZYLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)10-11-9-14-4-3-12(11)17-13/h3-4,9H,2,5-8,10,13H2,1H3.
What are the key properties of O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine?
O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine has a molecular weight of 236.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[(4-ethylpiperazin-1-yl)methyl]-4-pyridinyl]hydroxylamine is sourced from PubChem (CID 143961834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).