5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline

C13H19FN2O — CID 63971118

IUPAC5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
SMILESCOCC1CCN(c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O/c1-17-9-10-4-6-16(7-5-10)13-3-2-11(14)8-12(13)15/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyJWOONLWJIMPDOQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.27
Rot. Bonds3

About 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline

5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline (PubChem CID 63971118) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
PubChem CID63971118
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
SMILESCOCC1CCN(c2ccc(F)cc2N)CC1
InChIInChI=1S/C13H19FN2O/c1-17-9-10-4-6-16(7-5-10)13-3-2-11(14)8-12(13)15/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyJWOONLWJIMPDOQ-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.27
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 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline?
The IUPAC name of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline (CID 63971118) is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline.
What is the SMILES notation for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline?
The canonical SMILES for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline is COCC1CCN(c2ccc(F)cc2N)CC1.
What is the InChIKey of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline?
The InChIKey is JWOONLWJIMPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-9-10-4-6-16(7-5-10)13-3-2-11(14)8-12(13)15/h2-3,8,10H,4-7,9,15H2,1H3.
What are the key properties of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline?
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline has a molecular weight of 238.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 63971118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).