1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

C21H24ClNO4 — CID 4262373

IUPAC1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccc(Cl)cc2)N2CCCCC2C(=O)O)c(OC)c1
InChIInChI=1S/C21H24ClNO4/c1-26-16-10-11-17(19(13-16)27-2)20(14-6-8-15(22)9-7-14)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)
InChIKeyFMQDRBUCRUSSPD-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.39
Rot. Bonds6

About 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4262373) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4262373
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccc(Cl)cc2)N2CCCCC2C(=O)O)c(OC)c1
InChIInChI=1S/C21H24ClNO4/c1-26-16-10-11-17(19(13-16)27-2)20(14-6-8-15(22)9-7-14)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)
InChIKeyFMQDRBUCRUSSPD-UHFFFAOYSA-N
XLogP4.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3928362
1-[(2,4-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 3579365
1-[(3-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4587330
1-[(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4263028
1-[(5-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4679089
1-[(2,4-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 5137992
1-[(5-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3362219
1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5033524
1-[(5-chloro-2-methoxyphenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-2-carboxylic acid
CID 4241257
1-[(2,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3945279
1-[(2,5-dimethoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3323628
1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4299590

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 4262373) is 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(C(c2ccc(Cl)cc2)N2CCCCC2C(=O)O)c(OC)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is FMQDRBUCRUSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-26-16-10-11-17(19(13-16)27-2)20(14-6-8-15(22)9-7-14)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 389.88 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4262373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).