4-tert-butylpiperidine-4-carboxylic acid

C10H19NO2 — CID 58530627

IUPAC4-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)10(8(12)13)4-6-11-7-5-10/h11H,4-7H2,1-3H3,(H,12,13)
InChIKeyWOQIXZGQYNTAIN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds1

About 4-tert-butylpiperidine-4-carboxylic acid

4-tert-butylpiperidine-4-carboxylic acid (PubChem CID 58530627) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-tert-butylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-tert-butylpiperidine-4-carboxylic acid
PubChem CID58530627
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H19NO2/c1-9(2,3)10(8(12)13)4-6-11-7-5-10/h11H,4-7H2,1-3H3,(H,12,13)
InChIKeyWOQIXZGQYNTAIN-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperidine-4-carboxylic acid?
The IUPAC name of 4-tert-butylpiperidine-4-carboxylic acid (CID 58530627) is 4-tert-butylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-tert-butylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-tert-butylpiperidine-4-carboxylic acid is CC(C)(C)C1(C(=O)O)CCNCC1.
What is the InChIKey of 4-tert-butylpiperidine-4-carboxylic acid?
The InChIKey is WOQIXZGQYNTAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)10(8(12)13)4-6-11-7-5-10/h11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-tert-butylpiperidine-4-carboxylic acid?
4-tert-butylpiperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperidine-4-carboxylic acid is sourced from PubChem (CID 58530627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).