3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile

C10H15FN2O2 — CID 121203067

IUPAC3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H15FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-4,6-7H2
InChIKeyXREXHTUGSBHWLY-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.47
Rot. Bonds3

About 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile

3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile (PubChem CID 121203067) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile
PubChem CID121203067
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H15FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-4,6-7H2
InChIKeyXREXHTUGSBHWLY-UHFFFAOYSA-N
XLogP0.47
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile (CID 121203067) is 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile is N#CCC(=O)N1CCC(O)C(CCF)C1.
What is the InChIKey of 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is XREXHTUGSBHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-4,6-7H2.
What are the key properties of 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile?
3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 214.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 121203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).