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

C20H24N2O2 — CID 3572028

IUPAC1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cn2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-3-6-16(7-4-14)19(18-8-5-15(2)13-21-18)22-11-9-17(10-12-22)20(23)24/h3-8,13,17,19H,9-12H2,1-2H3,(H,23,24)
InChIKeyKNCZIAWQXWIOHY-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds4

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

1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3572028) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID3572028
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cn2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-3-6-16(7-4-14)19(18-8-5-15(2)13-21-18)22-11-9-17(10-12-22)20(23)24/h3-8,13,17,19H,9-12H2,1-2H3,(H,23,24)
InChIKeyKNCZIAWQXWIOHY-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-[(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-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
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-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[1,3-benzodioxol-5-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 5022340
1-[(4-fluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3961912
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 5036004
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 3572028) is 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccc(C)cn2)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is KNCZIAWQXWIOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-3-6-16(7-4-14)19(18-8-5-15(2)13-21-18)22-11-9-17(10-12-22)20(23)24/h3-8,13,17,19H,9-12H2,1-2H3,(H,23,24).
What are the key properties of 1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(4-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-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3572028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).