2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide

C17H24F2N2O2 — CID 139014404

IUPAC2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide
SMILESCCc1ccc(CN2CCC(O)(C(F)(F)C(=O)NC)CC2)cc1
InChIInChI=1S/C17H24F2N2O2/c1-3-13-4-6-14(7-5-13)12-21-10-8-16(23,9-11-21)17(18,19)15(22)20-2/h4-7,23H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyQHLIJJDQJHOMPC-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide

2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide (PubChem CID 139014404) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide
PubChem CID139014404
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide
SMILESCCc1ccc(CN2CCC(O)(C(F)(F)C(=O)NC)CC2)cc1
InChIInChI=1S/C17H24F2N2O2/c1-3-13-4-6-14(7-5-13)12-21-10-8-16(23,9-11-21)17(18,19)15(22)20-2/h4-7,23H,3,8-12H2,1-2H3,(H,20,22)
InChIKeyQHLIJJDQJHOMPC-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide?
The IUPAC name of 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide (CID 139014404) is 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide is CCc1ccc(CN2CCC(O)(C(F)(F)C(=O)NC)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide?
The InChIKey is QHLIJJDQJHOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-3-13-4-6-14(7-5-13)12-21-10-8-16(23,9-11-21)17(18,19)15(22)20-2/h4-7,23H,3,8-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide?
2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide has a molecular weight of 326.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 139014404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).