4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid

C17H32N2O2 — CID 69362791

IUPAC4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(C)CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)14-12-17(4,5)8-11-19(14)13-6-9-18(10-7-13)15(20)21/h13-14H,6-12H2,1-5H3,(H,20,21)
InChIKeyTYFDDTFRXCLWNZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.67
Rot. Bonds1

About 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid

4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 69362791) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID69362791
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(C)CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)14-12-17(4,5)8-11-19(14)13-6-9-18(10-7-13)15(20)21/h13-14H,6-12H2,1-5H3,(H,20,21)
InChIKeyTYFDDTFRXCLWNZ-UHFFFAOYSA-N
XLogP3.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid (CID 69362791) is 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid is CC1(C)CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1.
What is the InChIKey of 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is TYFDDTFRXCLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)14-12-17(4,5)8-11-19(14)13-6-9-18(10-7-13)15(20)21/h13-14H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69362791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).