1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone

C13H16ClFN2O2 — CID 138678427

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESNC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O2/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-5-3-9(16)4-6-17/h1-2,7,9H,3-6,8,16H2
InChIKeyKPMUKUOHLWVAED-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone

1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone (PubChem CID 138678427) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
PubChem CID138678427
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESNC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O2/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-5-3-9(16)4-6-17/h1-2,7,9H,3-6,8,16H2
InChIKeyKPMUKUOHLWVAED-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone (CID 138678427) is 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone is NC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The InChIKey is KPMUKUOHLWVAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-11-2-1-10(7-12(11)15)19-8-13(18)17-5-3-9(16)4-6-17/h1-2,7,9H,3-6,8,16H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone?
1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone has a molecular weight of 286.73 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)ethanone is sourced from PubChem (CID 138678427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).