4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid

C17H25NO2 — CID 95478200

IUPAC4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13(2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,19,20)
InChIKeyILRYPUQHDIUFBJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds4

About 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid

4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid (PubChem CID 95478200) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
PubChem CID95478200
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13(2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,19,20)
InChIKeyILRYPUQHDIUFBJ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid (CID 95478200) is 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid is Cc1ccc(C2(C(=O)O)CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The InChIKey is ILRYPUQHDIUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)12-18-10-8-17(9-11-18,16(19)20)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,19,20).
What are the key properties of 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid?
4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 95478200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).