1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

C21H24FNO2 — CID 3305516

IUPAC1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C(c2ccc(F)cc2)N2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C21H24FNO2/c1-14-5-10-19(15(2)12-14)20(16-6-8-18(22)9-7-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)
InChIKeyHZUVDSRJPMWEDE-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.33
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 3305516) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
PubChem CID3305516
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C(c2ccc(F)cc2)N2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C21H24FNO2/c1-14-5-10-19(15(2)12-14)20(16-6-8-18(22)9-7-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)
InChIKeyHZUVDSRJPMWEDE-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3564402
1-[(2,4-difluorophenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3946600
1-[(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 4640848
1-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5032269
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3428001
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3922146
1-[(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4241880
1-[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 5014352
1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3963345
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid (CID 3305516) is 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(C(c2ccc(F)cc2)N2CCCC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is HZUVDSRJPMWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-14-5-10-19(15(2)12-14)20(16-6-8-18(22)9-7-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25).
What are the key properties of 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid?
1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3305516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).