tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate

C12H23FN2O2 — CID 16748348

IUPACtert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCF)CC1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)14-10-4-7-15(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyHEMJKTGSESHVQG-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate (PubChem CID 16748348) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate
PubChem CID16748348
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCF)CC1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)14-10-4-7-15(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyHEMJKTGSESHVQG-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate (CID 16748348) is tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCF)CC1.
What is the InChIKey of tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate?
The InChIKey is HEMJKTGSESHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)14-10-4-7-15(8-5-10)9-6-13/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate has a molecular weight of 246.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluoroethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 16748348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).