4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid

C11H21FN2O2 — CID 172812029

IUPAC4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(F)(CN)CCN1C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)8-6-11(12,7-13)4-5-14(8)9(15)16/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeySHPRAGGBINWWJP-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.84
Rot. Bonds1

About 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid

4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid (PubChem CID 172812029) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid
PubChem CID172812029
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(F)(CN)CCN1C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)8-6-11(12,7-13)4-5-14(8)9(15)16/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeySHPRAGGBINWWJP-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid (CID 172812029) is 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid is CC(C)(C)C1CC(F)(CN)CCN1C(=O)O.
What is the InChIKey of 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid?
The InChIKey is SHPRAGGBINWWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-10(2,3)8-6-11(12,7-13)4-5-14(8)9(15)16/h8H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid?
4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-tert-butyl-4-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 172812029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).