1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid

C20H24N2O2 — CID 3942508

IUPAC1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(c2cccnc2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)19(16-6-5-10-21-13-16)22-11-4-3-7-18(22)20(23)24/h5-6,8-10,12-13,18-19H,3-4,7,11H2,1-2H3,(H,23,24)
InChIKeyULMBCVODLMVFMH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.73
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid

1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 3942508) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
PubChem CID3942508
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(c2cccnc2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)19(16-6-5-10-21-13-16)22-11-4-3-7-18(22)20(23)24/h5-6,8-10,12-13,18-19H,3-4,7,11H2,1-2H3,(H,23,24)
InChIKeyULMBCVODLMVFMH-UHFFFAOYSA-N
XLogP3.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[(4-methylthiophen-2-yl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3990100
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid
CID 4290009
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(3,5-dimethylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5222322
1-[(5-bromothiophen-2-yl)-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032833
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4261190
1-[(3,4-dichlorophenyl)-(3-methyl-4-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3925024
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3936447
1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4009744

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid (CID 3942508) is 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid is Cc1ccc(C)c(C(c2cccnc2)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is ULMBCVODLMVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-8-9-15(2)17(12-14)19(16-6-5-10-21-13-16)22-11-4-3-7-18(22)20(23)24/h5-6,8-10,12-13,18-19H,3-4,7,11H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3942508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).