1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid

C9H16FNO2 — CID 114426285

IUPAC1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CCF)C(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-7-2-4-11(5-3-10)8(6-7)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyUPNMOZPAKOMZFK-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid

1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426285) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426285
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CCF)C(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-7-2-4-11(5-3-10)8(6-7)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyUPNMOZPAKOMZFK-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid 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-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid (CID 114426285) is 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(CCF)C(C(=O)O)C1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is UPNMOZPAKOMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7-2-4-11(5-3-10)8(6-7)9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).