tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate

C18H22F3NO3 — CID 68971441

IUPACtert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3NO3/c1-17(2,3)25-16(24)22-10-8-13(9-11-22)15(23)12-4-6-14(7-5-12)18(19,20)21/h4-7,13H,8-11H2,1-3H3
InChIKeyPCIXABQPJKOBKV-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.54
Rot. Bonds2

About tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate

tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate (PubChem CID 68971441) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
PubChem CID68971441
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Nametert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3NO3/c1-17(2,3)25-16(24)22-10-8-13(9-11-22)15(23)12-4-6-14(7-5-12)18(19,20)21/h4-7,13H,8-11H2,1-3H3
InChIKeyPCIXABQPJKOBKV-UHFFFAOYSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[4-(trifluoromethyl)benzoyl]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-(trifluoromethyl)benzoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate (CID 68971441) is tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate?
The InChIKey is PCIXABQPJKOBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c1-17(2,3)25-16(24)22-10-8-13(9-11-22)15(23)12-4-6-14(7-5-12)18(19,20)21/h4-7,13H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxylate is sourced from PubChem (CID 68971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).