2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline

C12H17FN2O — CID 89223990

IUPAC2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
SMILESCN1CCCC(Oc2ccc(N)c(F)c2)C1
InChIInChI=1S/C12H17FN2O/c1-15-6-2-3-10(8-15)16-9-4-5-12(14)11(13)7-9/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyISCNPSFZNUDYAJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline

2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline (PubChem CID 89223990) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline.

Molecular Properties

Compound Name2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
PubChem CID89223990
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
SMILESCN1CCCC(Oc2ccc(N)c(F)c2)C1
InChIInChI=1S/C12H17FN2O/c1-15-6-2-3-10(8-15)16-9-4-5-12(14)11(13)7-9/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyISCNPSFZNUDYAJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline?
The IUPAC name of 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline (CID 89223990) is 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline.
What is the SMILES notation for 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline?
The canonical SMILES for 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline is CN1CCCC(Oc2ccc(N)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline?
The InChIKey is ISCNPSFZNUDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15-6-2-3-10(8-15)16-9-4-5-12(14)11(13)7-9/h4-5,7,10H,2-3,6,8,14H2,1H3.
What are the key properties of 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline?
2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline has a molecular weight of 224.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline is sourced from PubChem (CID 89223990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).