tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate

C18H24F3NO4 — CID 18723402

IUPACtert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3NO4/c1-17(2,3)26-16(23)22-10-8-14(9-11-22)24-12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3
InChIKeyAILDMXCYTFJRNN-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate (PubChem CID 18723402) has the molecular formula C18H24F3NO4 and a molecular weight of 375.39 g/mol. Its IUPAC name is tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate
PubChem CID18723402
Molecular FormulaC18H24F3NO4
Molecular Weight375.39 g/mol
Exact Mass375.17
IUPAC Nametert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3NO4/c1-17(2,3)26-16(23)22-10-8-14(9-11-22)24-12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3
InChIKeyAILDMXCYTFJRNN-UHFFFAOYSA-N
XLogP4.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]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-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate (CID 18723402) is tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate?
The InChIKey is AILDMXCYTFJRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO4/c1-17(2,3)26-16(23)22-10-8-14(9-11-22)24-12-13-4-6-15(7-5-13)25-18(19,20)21/h4-7,14H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 18723402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).