1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone

C14H19FN2O — CID 62810559

IUPAC1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-10-9-13(3-4-14(10)15)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyJGKXPWBSXAIMPN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone

1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone (PubChem CID 62810559) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
PubChem CID62810559
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-10-9-13(3-4-14(10)15)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyJGKXPWBSXAIMPN-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone (CID 62810559) is 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc(F)c(C)c2)CC1.
What is the InChIKey of 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is JGKXPWBSXAIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-9-13(3-4-14(10)15)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,16H,5-8H2,1-2H3.
What are the key properties of 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone?
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 250.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62810559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).