5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline

C16H24FN3O — CID 145234442

IUPAC5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(C)c(C2CCN(CCOC)CC2F)cc1N
InChIInChI=1S/C16H24FN3O/c1-11-7-12(9-18)16(19)8-14(11)13-3-4-20(5-6-21-2)10-15(13)17/h7-9,13,15,18H,3-6,10,19H2,1-2H3/b18-9+
InChIKeyJIIUAAMDYFXUOR-GIJQJNRQSA-N
MW293.39 g/mol
LogP2.35
Rot. Bonds5

About 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline

5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline (PubChem CID 145234442) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline.

Molecular Properties

Compound Name5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline
PubChem CID145234442
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(C)c(C2CCN(CCOC)CC2F)cc1N
InChIInChI=1S/C16H24FN3O/c1-11-7-12(9-18)16(19)8-14(11)13-3-4-20(5-6-21-2)10-15(13)17/h7-9,13,15,18H,3-6,10,19H2,1-2H3/b18-9+
InChIKeyJIIUAAMDYFXUOR-GIJQJNRQSA-N
XLogP2.35
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline?
The IUPAC name of 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline (CID 145234442) is 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline.
What is the SMILES notation for 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline?
The canonical SMILES for 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline is [H]/N=C/c1cc(C)c(C2CCN(CCOC)CC2F)cc1N.
What is the InChIKey of 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline?
The InChIKey is JIIUAAMDYFXUOR-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-7-12(9-18)16(19)8-14(11)13-3-4-20(5-6-21-2)10-15(13)17/h7-9,13,15,18H,3-6,10,19H2,1-2H3/b18-9+.
What are the key properties of 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline?
5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline has a molecular weight of 293.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-methanimidoyl-4-methylaniline is sourced from PubChem (CID 145234442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).