1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C20H24N2O2 — CID 5136944

IUPAC1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C20H24N2O2/c1-14-7-8-18(21-13-14)19(17-6-4-3-5-15(17)2)22-11-9-16(10-12-22)20(23)24/h3-8,13,16,19H,9-12H2,1-2H3,(H,23,24)
InChIKeyDEVVMBUNQNGKNT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds4

About 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 5136944) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID5136944
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C20H24N2O2/c1-14-7-8-18(21-13-14)19(17-6-4-3-5-15(17)2)22-11-9-16(10-12-22)20(23)24/h3-8,13,16,19H,9-12H2,1-2H3,(H,23,24)
InChIKeyDEVVMBUNQNGKNT-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3455065
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418
1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 5136944) is 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is DEVVMBUNQNGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-8-18(21-13-14)19(17-6-4-3-5-15(17)2)22-11-9-16(10-12-22)20(23)24/h3-8,13,16,19H,9-12H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5136944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).