1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one

C14H18ClFN2O2 — CID 138678453

IUPAC1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one
SMILESNC1CCN(CC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H18ClFN2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10H,3-6,8-9,17H2
InChIKeyLXHWWBUISVSGPK-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.85
Rot. Bonds5

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

1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one (PubChem CID 138678453) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one
PubChem CID138678453
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one
SMILESNC1CCN(CC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H18ClFN2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10H,3-6,8-9,17H2
InChIKeyLXHWWBUISVSGPK-UHFFFAOYSA-N
XLogP1.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one (CID 138678453) is 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one is NC1CCN(CC(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one?
The InChIKey is LXHWWBUISVSGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-18-5-3-10(17)4-6-18/h1-2,7,10H,3-6,8-9,17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one?
1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one has a molecular weight of 300.76 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(4-chloro-3-fluorophenoxy)propan-2-one is sourced from PubChem (CID 138678453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).