1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone

C13H16F2N2O — CID 43764958

IUPAC1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-9(18)17-4-2-12(3-5-17)16-13-7-10(14)6-11(15)8-13/h6-8,12,16H,2-5H2,1H3
InChIKeyNJUVSZZSPBHOCU-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.39
Rot. Bonds2

About 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone

1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone (PubChem CID 43764958) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
PubChem CID43764958
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-9(18)17-4-2-12(3-5-17)16-13-7-10(14)6-11(15)8-13/h6-8,12,16H,2-5H2,1H3
InChIKeyNJUVSZZSPBHOCU-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone (CID 43764958) is 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone?
The InChIKey is NJUVSZZSPBHOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9(18)17-4-2-12(3-5-17)16-13-7-10(14)6-11(15)8-13/h6-8,12,16H,2-5H2,1H3.
What are the key properties of 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone?
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone has a molecular weight of 254.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43764958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).