2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid

C8H14FNO2 — CID 84766894

IUPAC2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCC(F)C(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-10-3-2-7(9)6(5-10)4-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyXOGXGPCKIQQSKT-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.75
Rot. Bonds2

About 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid

2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid (PubChem CID 84766894) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
PubChem CID84766894
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
SMILESCN1CCC(F)C(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-10-3-2-7(9)6(5-10)4-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyXOGXGPCKIQQSKT-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(3-benzyl-1-methylpiperidin-4-yl)acetic acid
CID 21426503
3-fluoro-1-methylpiperidine-4-carboxylic acid
CID 83854511
2-(hydroxymethyl)-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 83817682
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-(2,2-difluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 115025039
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-(3-fluorooxan-4-yl)acetic acid
CID 84764462

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid (CID 84766894) is 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid is CN1CCC(F)C(CC(=O)O)C1.
What is the InChIKey of 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid?
The InChIKey is XOGXGPCKIQQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-10-3-2-7(9)6(5-10)4-8(11)12/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid?
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid has a molecular weight of 175.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 84766894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).