2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid

C17H23NO4 — CID 66732406

IUPAC2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C2CC(C(=O)O)CCN2C(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)13-6-4-11(5-7-13)14-10-12(15(19)20)8-9-18(14)16(21)22/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyRYHUAKNJUPQTQJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid

2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid (PubChem CID 66732406) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid
PubChem CID66732406
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C2CC(C(=O)O)CCN2C(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-17(2,3)13-6-4-11(5-7-13)14-10-12(15(19)20)8-9-18(14)16(21)22/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyRYHUAKNJUPQTQJ-UHFFFAOYSA-N
XLogP3.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid?
The IUPAC name of 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid (CID 66732406) is 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid is CC(C)(C)c1ccc(C2CC(C(=O)O)CCN2C(=O)O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid?
The InChIKey is RYHUAKNJUPQTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)13-6-4-11(5-7-13)14-10-12(15(19)20)8-9-18(14)16(21)22/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid?
2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 66732406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).