(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate

C10H17F2NO2 — CID 175835533

IUPAC(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(CC)CC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-9(14)15-8-5-6-13(4-2)7-10(8,11)12/h8H,3-7H2,1-2H3
InChIKeyIOOWSPZZOQWTMU-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.67
Rot. Bonds3

About (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate

(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate (PubChem CID 175835533) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate
PubChem CID175835533
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(CC)CC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-9(14)15-8-5-6-13(4-2)7-10(8,11)12/h8H,3-7H2,1-2H3
InChIKeyIOOWSPZZOQWTMU-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate?
The IUPAC name of (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate (CID 175835533) is (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate.
What is the SMILES notation for (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate?
The canonical SMILES for (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate is CCC(=O)OC1CCN(CC)CC1(F)F.
What is the InChIKey of (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate?
The InChIKey is IOOWSPZZOQWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-9(14)15-8-5-6-13(4-2)7-10(8,11)12/h8H,3-7H2,1-2H3.
What are the key properties of (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate?
(1-ethyl-3,3-difluoropiperidin-4-yl) propanoate has a molecular weight of 221.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,3-difluoropiperidin-4-yl) propanoate is sourced from PubChem (CID 175835533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).