1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid

C23H29NO4 — CID 4311500

IUPAC1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccc(C)cc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C23H29NO4/c1-15-11-12-17(16(2)14-15)22(24-13-6-5-8-18(24)23(25)26)21-19(27-3)9-7-10-20(21)28-4/h7,9-12,14,18,22H,5-6,8,13H2,1-4H3,(H,25,26)
InChIKeyMTUBRKGKBAGFNO-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.35
Rot. Bonds6

About 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid

1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4311500) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4311500
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccc(C)cc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C23H29NO4/c1-15-11-12-17(16(2)14-15)22(24-13-6-5-8-18(24)23(25)26)21-19(27-3)9-7-10-20(21)28-4/h7,9-12,14,18,22H,5-6,8,13H2,1-4H3,(H,25,26)
InChIKeyMTUBRKGKBAGFNO-UHFFFAOYSA-N
XLogP4.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4568163
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3876106
1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241868
1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4683432
1-[(3-methylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3350055
1-[(5-fluoro-2-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032489
1-[(5-fluoro-2-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3946960
1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3876108
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3880673
1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3566266
1-[(3-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3902047
1-[(2,3-dimethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4036700

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid (CID 4311500) is 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid is COc1cccc(OC)c1C(c1ccc(C)cc1C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is MTUBRKGKBAGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-15-11-12-17(16(2)14-15)22(24-13-6-5-8-18(24)23(25)26)21-19(27-3)9-7-10-20(21)28-4/h7,9-12,14,18,22H,5-6,8,13H2,1-4H3,(H,25,26).
What are the key properties of 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 383.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4311500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).