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

C12H21FN2O2 — CID 121203055

IUPAC[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC(O)C(CCF)C1
InChIInChI=1S/C12H21FN2O2/c13-4-1-10-8-15(6-3-11(10)16)12(17)9-2-5-14-7-9/h9-11,14,16H,1-8H2
InChIKeyLIHYUPFVILEOMA-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.16
Rot. Bonds3

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

[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 121203055) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID121203055
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC(O)C(CCF)C1
InChIInChI=1S/C12H21FN2O2/c13-4-1-10-8-15(6-3-11(10)16)12(17)9-2-5-14-7-9/h9-11,14,16H,1-8H2
InChIKeyLIHYUPFVILEOMA-UHFFFAOYSA-N
XLogP0.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 121203055) is [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCC(O)C(CCF)C1.
What is the InChIKey of [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is LIHYUPFVILEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c13-4-1-10-8-15(6-3-11(10)16)12(17)9-2-5-14-7-9/h9-11,14,16H,1-8H2.
What are the key properties of [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 244.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 121203055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).