1-(3-fluoropiperidin-1-yl)-2-methoxyethanone

C8H14FNO2 — CID 178006401

IUPAC1-(3-fluoropiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(F)C1
InChIInChI=1S/C8H14FNO2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6H2,1H3
InChIKeyGKJZAELOHAPQJU-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.59
Rot. Bonds2

About 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone

1-(3-fluoropiperidin-1-yl)-2-methoxyethanone (PubChem CID 178006401) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-fluoropiperidin-1-yl)-2-methoxyethanone
PubChem CID178006401
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-(3-fluoropiperidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCC(F)C1
InChIInChI=1S/C8H14FNO2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6H2,1H3
InChIKeyGKJZAELOHAPQJU-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone (CID 178006401) is 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCCC(F)C1.
What is the InChIKey of 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone?
The InChIKey is GKJZAELOHAPQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-12-6-8(11)10-4-2-3-7(9)5-10/h7H,2-6H2,1H3.
What are the key properties of 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone?
1-(3-fluoropiperidin-1-yl)-2-methoxyethanone has a molecular weight of 175.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 178006401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).