4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline

C14H21FN2O — CID 59452757

IUPAC4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline
SMILESCOc1cc(C2CCN(CCF)CC2)ccc1N
InChIInChI=1S/C14H21FN2O/c1-18-14-10-12(2-3-13(14)16)11-4-7-17(8-5-11)9-6-15/h2-3,10-11H,4-9,16H2,1H3
InChIKeyTVITXQMXGUMXPY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.43
Rot. Bonds4

About 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline

4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline (PubChem CID 59452757) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline
PubChem CID59452757
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline
SMILESCOc1cc(C2CCN(CCF)CC2)ccc1N
InChIInChI=1S/C14H21FN2O/c1-18-14-10-12(2-3-13(14)16)11-4-7-17(8-5-11)9-6-15/h2-3,10-11H,4-9,16H2,1H3
InChIKeyTVITXQMXGUMXPY-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline?
The IUPAC name of 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline (CID 59452757) is 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline.
What is the SMILES notation for 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline?
The canonical SMILES for 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline is COc1cc(C2CCN(CCF)CC2)ccc1N.
What is the InChIKey of 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline?
The InChIKey is TVITXQMXGUMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14-10-12(2-3-13(14)16)11-4-7-17(8-5-11)9-6-15/h2-3,10-11H,4-9,16H2,1H3.
What are the key properties of 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline?
4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline has a molecular weight of 252.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyaniline is sourced from PubChem (CID 59452757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).