O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine

C10H23N3O — CID 168901441

IUPACO-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
SMILESCCCCN1CCN(CCON)CC1
InChIInChI=1S/C10H23N3O/c1-2-3-4-12-5-7-13(8-6-12)9-10-14-11/h2-11H2,1H3
InChIKeyATUWMVMJZAJEOF-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.29
Rot. Bonds6

About O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine

O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine (PubChem CID 168901441) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
PubChem CID168901441
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameO-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
SMILESCCCCN1CCN(CCON)CC1
InChIInChI=1S/C10H23N3O/c1-2-3-4-12-5-7-13(8-6-12)9-10-14-11/h2-11H2,1H3
InChIKeyATUWMVMJZAJEOF-UHFFFAOYSA-N
XLogP0.29
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-butylaziridine;triethoxysilane
CID 173013888
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
1-butylazetidine;ethane
CID 143628082
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine (CID 168901441) is O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine is CCCCN1CCN(CCON)CC1.
What is the InChIKey of O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine?
The InChIKey is ATUWMVMJZAJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-2-3-4-12-5-7-13(8-6-12)9-10-14-11/h2-11H2,1H3.
What are the key properties of O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine?
O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine has a molecular weight of 201.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine is sourced from PubChem (CID 168901441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).