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

C22H27NO4 — CID 4019790

IUPAC1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccccc1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27NO4/c1-15-7-4-5-8-17(15)21(23-13-11-16(12-14-23)22(24)25)20-18(26-2)9-6-10-19(20)27-3/h4-10,16,21H,11-14H2,1-3H3,(H,24,25)
InChIKeyKYBUQVCHNOEOQZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.90
Rot. Bonds6

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

1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4019790) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4019790
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1ccccc1C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27NO4/c1-15-7-4-5-8-17(15)21(23-13-11-16(12-14-23)22(24)25)20-18(26-2)9-6-10-19(20)27-3/h4-10,16,21H,11-14H2,1-3H3,(H,24,25)
InChIKeyKYBUQVCHNOEOQZ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241868
1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3566266
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4568163
1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 4527953
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3876106
1-[(2,6-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3948201
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(2,3-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241750
1-[(2,6-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3347504
1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5170728
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 4019790) is 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is COc1cccc(OC)c1C(c1ccccc1C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is KYBUQVCHNOEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-7-4-5-8-17(15)21(23-13-11-16(12-14-23)22(24)25)20-18(26-2)9-6-10-19(20)27-3/h4-10,16,21H,11-14H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 369.46 g/mol, XLogP of 3.90, 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-4-carboxylic acid is sourced from PubChem (CID 4019790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).