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

C22H27NO4 — CID 4568163

IUPAC1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccccc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C22H27NO4/c1-15-9-4-5-10-16(15)21(23-14-7-6-11-17(23)22(24)25)20-18(26-2)12-8-13-19(20)27-3/h4-5,8-10,12-13,17,21H,6-7,11,14H2,1-3H3,(H,24,25)
InChIKeyCSEDLCMCMJOKIC-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.04
Rot. Bonds6

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

1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4568163) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4568163
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccccc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C22H27NO4/c1-15-9-4-5-10-16(15)21(23-14-7-6-11-17(23)22(24)25)20-18(26-2)12-8-13-19(20)27-3/h4-5,8-10,12-13,17,21H,6-7,11,14H2,1-3H3,(H,24,25)
InChIKeyCSEDLCMCMJOKIC-UHFFFAOYSA-N
XLogP4.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3876106
1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 4311500
1-[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4683432
1-[(5-fluoro-2-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032489
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5125172
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3880673
1-[(2,6-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3267303
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4020341
1-[(2,6-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3648118
1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
CID 5041617

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 4568163) is 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid is COc1cccc(OC)c1C(c1ccccc1C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is CSEDLCMCMJOKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-9-4-5-10-16(15)21(23-14-7-6-11-17(23)22(24)25)20-18(26-2)12-8-13-19(20)27-3/h4-5,8-10,12-13,17,21H,6-7,11,14H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 369.46 g/mol, XLogP of 4.04, 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-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4568163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).