O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine

C12H18FN3O — CID 117351173

IUPACO-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
SMILESCN1CCN(c2ccc(CON)cc2F)CC1
InChIInChI=1S/C12H18FN3O/c1-15-4-6-16(7-5-15)12-3-2-10(9-17-14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyAVUXIBMVZWHWAI-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.97
Rot. Bonds3

About O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine

O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine (PubChem CID 117351173) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
PubChem CID117351173
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameO-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
SMILESCN1CCN(c2ccc(CON)cc2F)CC1
InChIInChI=1S/C12H18FN3O/c1-15-4-6-16(7-5-15)12-3-2-10(9-17-14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyAVUXIBMVZWHWAI-UHFFFAOYSA-N
XLogP0.97
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.97
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

1-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117415617
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 117382128
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
[(E)-but-2-enyl] 3-fluoro-4-(4-methylpiperazin-1-yl)benzoate
CID 75440106
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
CID 143046254
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276

Frequently Asked Questions

What is the IUPAC name of O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine (CID 117351173) is O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine is CN1CCN(c2ccc(CON)cc2F)CC1.
What is the InChIKey of O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine?
The InChIKey is AVUXIBMVZWHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15-4-6-16(7-5-15)12-3-2-10(9-17-14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine?
O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine has a molecular weight of 239.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117351173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).