O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine

C13H19FN2O — CID 117349480

IUPACO-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C13H19FN2O/c14-12-4-5-13(11(10-12)6-9-17-15)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,15H2
InChIKeyZGIHOUDXNLQXQJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.25
Rot. Bonds4

About O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine

O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine (PubChem CID 117349480) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine
PubChem CID117349480
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameO-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C13H19FN2O/c14-12-4-5-13(11(10-12)6-9-17-15)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,15H2
InChIKeyZGIHOUDXNLQXQJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.25
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

1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
CID 117354257
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63784618
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
4-[2-(2-aminoethyl)-4-fluorophenyl]piperazine-1-carbaldehyde
CID 82297807

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine (CID 117349480) is O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine is NOCCc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine?
The InChIKey is ZGIHOUDXNLQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-4-5-13(11(10-12)6-9-17-15)16-7-2-1-3-8-16/h4-5,10H,1-3,6-9,15H2.
What are the key properties of O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine?
O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine has a molecular weight of 238.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-fluoro-2-piperidin-1-ylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117349480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).