3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid

C11H19FN2O2 — CID 175508690

IUPAC3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(N2CCC(F)CC2)C1
InChIInChI=1S/C11H19FN2O2/c12-9-3-6-13(7-4-9)10-2-1-5-14(8-10)11(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyLQJPBIOWKNFOMF-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.56
Rot. Bonds1

About 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid

3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175508690) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID175508690
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(N2CCC(F)CC2)C1
InChIInChI=1S/C11H19FN2O2/c12-9-3-6-13(7-4-9)10-2-1-5-14(8-10)11(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyLQJPBIOWKNFOMF-UHFFFAOYSA-N
XLogP1.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoropiperidin-1-yl)piperidine-1-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 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid (CID 175508690) is 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCCC(N2CCC(F)CC2)C1.
What is the InChIKey of 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is LQJPBIOWKNFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c12-9-3-6-13(7-4-9)10-2-1-5-14(8-10)11(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 230.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175508690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).