1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid

C22H21FN2O2 — CID 3468256

IUPAC1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C22H21FN2O2/c23-18-9-3-2-8-17(18)21(25-12-6-5-11-20(25)22(26)27)16-13-15-7-1-4-10-19(15)24-14-16/h1-4,7-10,13-14,20-21H,5-6,11-12H2,(H,26,27)
InChIKeyNNFJHLVRRVLSHD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.40
Rot. Bonds4

About 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid

1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 3468256) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
PubChem CID3468256
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccc1F
InChIInChI=1S/C22H21FN2O2/c23-18-9-3-2-8-17(18)21(25-12-6-5-11-20(25)22(26)27)16-13-15-7-1-4-10-19(15)24-14-16/h1-4,7-10,13-14,20-21H,5-6,11-12H2,(H,26,27)
InChIKeyNNFJHLVRRVLSHD-UHFFFAOYSA-N
XLogP4.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-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-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid (CID 3468256) is 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1cnc2ccccc2c1)c1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is NNFJHLVRRVLSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-9-3-2-8-17(18)21(25-12-6-5-11-20(25)22(26)27)16-13-15-7-1-4-10-19(15)24-14-16/h1-4,7-10,13-14,20-21H,5-6,11-12H2,(H,26,27).
What are the key properties of 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 364.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3468256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).