1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C20H24N2O2 — CID 4543661

IUPAC1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2ncccc2C)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C20H24N2O2/c1-14-8-10-16(11-9-14)19(18-15(2)6-5-12-21-18)22-13-4-3-7-17(22)20(23)24/h5-6,8-12,17,19H,3-4,7,13H2,1-2H3,(H,23,24)
InChIKeyUJLCLEQVJRTOAK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.73
Rot. Bonds4

About 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4543661) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID4543661
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2ncccc2C)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C20H24N2O2/c1-14-8-10-16(11-9-14)19(18-15(2)6-5-12-21-18)22-13-4-3-7-17(22)20(23)24/h5-6,8-12,17,19H,3-4,7,13H2,1-2H3,(H,23,24)
InChIKeyUJLCLEQVJRTOAK-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-[(3,5-dimethylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5222322
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(3-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4579065
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5125172
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733
1-[(3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3595943
1-[(3-methyl-2-pyridinyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4274900
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid
CID 5134803
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 4543661) is 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is Cc1ccc(C(c2ncccc2C)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is UJLCLEQVJRTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-8-10-16(11-9-14)19(18-15(2)6-5-12-21-18)22-13-4-3-7-17(22)20(23)24/h5-6,8-12,17,19H,3-4,7,13H2,1-2H3,(H,23,24).
What are the key properties of 1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]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-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4543661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).