tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate

C14H25FN2O3 — CID 171547053

IUPACtert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(F)(CO)C2)CC1
InChIInChI=1S/C14H25FN2O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-14(15,9-17)10-18/h11,18H,4-10H2,1-3H3
InChIKeyCYOPPEDDAGWKRY-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.40
Rot. Bonds2

About tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate (PubChem CID 171547053) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate
PubChem CID171547053
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nametert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(F)(CO)C2)CC1
InChIInChI=1S/C14H25FN2O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-14(15,9-17)10-18/h11,18H,4-10H2,1-3H3
InChIKeyCYOPPEDDAGWKRY-UHFFFAOYSA-N
XLogP1.40
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate 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 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate (CID 171547053) is tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(F)(CO)C2)CC1.
What is the InChIKey of tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate?
The InChIKey is CYOPPEDDAGWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-14(15,9-17)10-18/h11,18H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate has a molecular weight of 288.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171547053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).