6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid

C14H21N3O2 — CID 69475400

IUPAC6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)11-9-10(12(18)19)15-13(16-11)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyWWHWVVSWYBRKOR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds2

About 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid

6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 69475400) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid
PubChem CID69475400
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)11-9-10(12(18)19)15-13(16-11)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyWWHWVVSWYBRKOR-UHFFFAOYSA-N
XLogP2.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid (CID 69475400) is 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)nc(N2CCCCC2)n1.
What is the InChIKey of 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is WWHWVVSWYBRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)11-9-10(12(18)19)15-13(16-11)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid?
6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-piperidin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 69475400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).