2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid

C11H21FN2O2 — CID 86644805

IUPAC2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(CCF)CCN1C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)9-8-13(5-4-12)6-7-14(9)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJHHMQDCIWBBMDA-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.67
Rot. Bonds2

About 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid

2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid (PubChem CID 86644805) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid
PubChem CID86644805
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(CCF)CCN1C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)9-8-13(5-4-12)6-7-14(9)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyJHHMQDCIWBBMDA-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid (CID 86644805) is 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid is CC(C)(C)C1CN(CCF)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The InChIKey is JHHMQDCIWBBMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)9-8-13(5-4-12)6-7-14(9)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid?
2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-fluoroethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 86644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).