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

C15H27FN2O2 — CID 161292228

IUPAC4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(F)CCN1C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H27FN2O2/c1-15(2,3)13-10-11(16)4-9-18(13)12-5-7-17(8-6-12)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyVGMVECPIDFVHDZ-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.98
Rot. Bonds1

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

4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 161292228) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID161292228
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Name4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(F)CCN1C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H27FN2O2/c1-15(2,3)13-10-11(16)4-9-18(13)12-5-7-17(8-6-12)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyVGMVECPIDFVHDZ-UHFFFAOYSA-N
XLogP2.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.98
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-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid (CID 161292228) is 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid is CC(C)(C)C1CC(F)CCN1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is VGMVECPIDFVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-15(2,3)13-10-11(16)4-9-18(13)12-5-7-17(8-6-12)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid?
4-(2-tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 286.39 g/mol, XLogP of 2.98, 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-fluoropiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 161292228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).