1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

C22H21BrN2O2 — CID 3438294

IUPAC1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(Br)cc2)c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H21BrN2O2/c23-17-7-5-15(6-8-17)21(25-13-10-16(11-14-25)22(26)27)19-9-12-24-20-4-2-1-3-18(19)20/h1-9,12,16,21H,10-11,13-14H2,(H,26,27)
InChIKeyGLZBNYQUWULCIE-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.88
Rot. Bonds4

About 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid

1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3438294) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3438294
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC Name1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(Br)cc2)c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H21BrN2O2/c23-17-7-5-15(6-8-17)21(25-13-10-16(11-14-25)22(26)27)19-9-12-24-20-4-2-1-3-18(19)20/h1-9,12,16,21H,10-11,13-14H2,(H,26,27)
InChIKeyGLZBNYQUWULCIE-UHFFFAOYSA-N
XLogP4.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-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

Related Compounds

1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947
1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3622367
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3671647
1-[1,3-benzodioxol-5-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid
CID 4663085
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3323580
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
1-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608
1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3966351
1-[(5-bromo-2-ethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid
CID 4692670
1-[(3-bromophenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3528715
1-[(2-bromophenyl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 5138968

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid (CID 3438294) is 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc(Br)cc2)c2ccnc3ccccc23)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is GLZBNYQUWULCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c23-17-7-5-15(6-8-17)21(25-13-10-16(11-14-25)22(26)27)19-9-12-24-20-4-2-1-3-18(19)20/h1-9,12,16,21H,10-11,13-14H2,(H,26,27).
What are the key properties of 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid?
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 425.33 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3438294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).