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

C11H19FN2O2 — CID 121203056

IUPACazetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CNC1)N1CCC(O)C(CCF)C1
InChIInChI=1S/C11H19FN2O2/c12-3-1-8-7-14(4-2-10(8)15)11(16)9-5-13-6-9/h8-10,13,15H,1-7H2
InChIKeyVRVDLRPJHAKSDQ-UHFFFAOYSA-N
MW230.28 g/mol
LogP-0.23
Rot. Bonds3

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

azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 121203056) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID121203056
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Nameazetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CNC1)N1CCC(O)C(CCF)C1
InChIInChI=1S/C11H19FN2O2/c12-3-1-8-7-14(4-2-10(8)15)11(16)9-5-13-6-9/h8-10,13,15H,1-7H2
InChIKeyVRVDLRPJHAKSDQ-UHFFFAOYSA-N
XLogP-0.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone (CID 121203056) is azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone is O=C(C1CNC1)N1CCC(O)C(CCF)C1.
What is the InChIKey of azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is VRVDLRPJHAKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c12-3-1-8-7-14(4-2-10(8)15)11(16)9-5-13-6-9/h8-10,13,15H,1-7H2.
What are the key properties of azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone?
azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 230.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 121203056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).