tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid

C12H23FN2O2 — CID 118381558

IUPACtert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCF)CC1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)15(11(16)17)10-4-7-14(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyCAXVOTIOPOBBSL-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid (PubChem CID 118381558) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid
PubChem CID118381558
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(CCF)CC1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)15(11(16)17)10-4-7-14(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyCAXVOTIOPOBBSL-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid (CID 118381558) is tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(CCF)CC1.
What is the InChIKey of tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid?
The InChIKey is CAXVOTIOPOBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-12(2,3)15(11(16)17)10-4-7-14(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid has a molecular weight of 246.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 118381558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).