tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate

C22H25FN2O3 — CID 66875433

IUPACtert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1
InChIInChI=1S/C22H25FN2O3/c1-22(2,3)28-21(26)25-11-9-16(10-12-25)13-17-5-4-6-19(14-17)27-20-8-7-18(23)15-24-20/h4-8,13-15H,9-12H2,1-3H3
InChIKeyMFJXJKOMRBREHB-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.43
Rot. Bonds3

About tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate

tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate (PubChem CID 66875433) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
PubChem CID66875433
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Nametert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1
InChIInChI=1S/C22H25FN2O3/c1-22(2,3)28-21(26)25-11-9-16(10-12-25)13-17-5-4-6-19(14-17)27-20-8-7-18(23)15-24-20/h4-8,13-15H,9-12H2,1-3H3
InChIKeyMFJXJKOMRBREHB-UHFFFAOYSA-N
XLogP5.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]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-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate (CID 66875433) is tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1.
What is the InChIKey of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
The InChIKey is MFJXJKOMRBREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(2,3)28-21(26)25-11-9-16(10-12-25)13-17-5-4-6-19(14-17)27-20-8-7-18(23)15-24-20/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate?
tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate is sourced from PubChem (CID 66875433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).