O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine

C14H20N2O — CID 117336860

IUPACO-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CN3CCC2CC3)cc1
InChIInChI=1S/C14H20N2O/c15-17-10-11-1-3-12(4-2-11)14-9-16-7-5-13(14)6-8-16/h1-4,13-14H,5-10,15H2
InChIKeyPBQZBBNCDHUUGZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.89
Rot. Bonds3

About O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine

O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine (PubChem CID 117336860) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine
PubChem CID117336860
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameO-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CN3CCC2CC3)cc1
InChIInChI=1S/C14H20N2O/c15-17-10-11-1-3-12(4-2-11)14-9-16-7-5-13(14)6-8-16/h1-4,13-14H,5-10,15H2
InChIKeyPBQZBBNCDHUUGZ-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
CID 6463336
3-(4-Methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 3562076
(R)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-(4-methylphenyl)methanol
CID 124389452
[4-(1-Azabicyclo[2.2.2]octan-3-yl)-2-fluorophenyl]methanol
CID 132077422
3-Quinuclidyldiphenylcarbinol
CID 129779204
(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-azabicyclo[2.2.2]octan-3-imine
CID 125510975
3-(4-Methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride
CID 53352407
(3S)-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 914555
[4-(1-Methylpiperidin-3-yl)phenyl]methanol
CID 58393220
O-[[4-[(1S)-1-[(2S)-2-methylpiperidin-1-yl]ethyl]phenyl]methyl]hydroxylamine
CID 59890840
[4-(3-Piperidin-1-ylpropyl)phenyl]methyl hypochlorite
CID 71063785
N-phenylmethoxy-1-azabicyclo[2.2.2]octan-3-imine;hydrochloride
CID 85617436

Frequently Asked Questions

What is the IUPAC name of O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine (CID 117336860) is O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine is NOCc1ccc(C2CN3CCC2CC3)cc1.
What is the InChIKey of O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine?
The InChIKey is PBQZBBNCDHUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-17-10-11-1-3-12(4-2-11)14-9-16-7-5-13(14)6-8-16/h1-4,13-14H,5-10,15H2.
What are the key properties of O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine?
O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(1-azabicyclo[2.2.2]octan-3-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117336860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).