1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

C12H22F2N2O2 — CID 103205310

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)F)CCC1N
InChIInChI=1S/C12H22F2N2O2/c1-2-9-7-16(5-3-10(9)15)12(17)4-6-18-8-11(13)14/h9-11H,2-8,15H2,1H3
InChIKeyQPEDESUIEMOENW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds6

About 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103205310) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103205310
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)F)CCC1N
InChIInChI=1S/C12H22F2N2O2/c1-2-9-7-16(5-3-10(9)15)12(17)4-6-18-8-11(13)14/h9-11H,2-8,15H2,1H3
InChIKeyQPEDESUIEMOENW-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103205310) is 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is CCC1CN(C(=O)CCOCC(F)F)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is QPEDESUIEMOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-9-7-16(5-3-10(9)15)12(17)4-6-18-8-11(13)14/h9-11H,2-8,15H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103205310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).