1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine

C16H23FN2 — CID 138614338

IUPAC1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine
SMILES[H]/N=C(/C)C1(c2c(F)cc(C)cc2CC)CCNCC1
InChIInChI=1S/C16H23FN2/c1-4-13-9-11(2)10-14(17)15(13)16(12(3)18)5-7-19-8-6-16/h9-10,18-19H,4-8H2,1-3H3/b18-12-
InChIKeyWXEHGQOABFEPMZ-PDGQHHTCSA-N
MW262.37 g/mol
LogP3.36
Rot. Bonds3

About 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine

1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine (PubChem CID 138614338) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine
PubChem CID138614338
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine
SMILES[H]/N=C(/C)C1(c2c(F)cc(C)cc2CC)CCNCC1
InChIInChI=1S/C16H23FN2/c1-4-13-9-11(2)10-14(17)15(13)16(12(3)18)5-7-19-8-6-16/h9-10,18-19H,4-8H2,1-3H3/b18-12-
InChIKeyWXEHGQOABFEPMZ-PDGQHHTCSA-N
XLogP3.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine?
The IUPAC name of 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine (CID 138614338) is 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine.
What is the SMILES notation for 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine?
The canonical SMILES for 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine is [H]/N=C(/C)C1(c2c(F)cc(C)cc2CC)CCNCC1.
What is the InChIKey of 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine?
The InChIKey is WXEHGQOABFEPMZ-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H23FN2/c1-4-13-9-11(2)10-14(17)15(13)16(12(3)18)5-7-19-8-6-16/h9-10,18-19H,4-8H2,1-3H3/b18-12-.
What are the key properties of 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine?
1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine has a molecular weight of 262.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine is sourced from PubChem (CID 138614338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).