1-tert-butyl-4-fluoropiperidine-4-carboxylic acid

C10H18FNO2 — CID 115023039

IUPAC1-tert-butyl-4-fluoropiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyXAXFDDFPQGIBRI-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.67
Rot. Bonds1

About 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid

1-tert-butyl-4-fluoropiperidine-4-carboxylic acid (PubChem CID 115023039) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-4-fluoropiperidine-4-carboxylic acid
PubChem CID115023039
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-tert-butyl-4-fluoropiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyXAXFDDFPQGIBRI-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid (CID 115023039) is 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid is CC(C)(C)N1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is XAXFDDFPQGIBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid?
1-tert-butyl-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 115023039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).