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

C23H29NO3 — CID 90737093

IUPACtert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
SMILESCc1ccc(Oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17-5-9-20(10-6-17)26-21-11-7-18(8-12-21)19-13-15-24(16-14-19)22(25)27-23(2,3)4/h5-12,19H,13-16H2,1-4H3
InChIKeyDGAPVBVBYYPLFX-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.90
Rot. Bonds3

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

tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate (PubChem CID 90737093) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
PubChem CID90737093
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
SMILESCc1ccc(Oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17-5-9-20(10-6-17)26-21-11-7-18(8-12-21)19-13-15-24(16-14-19)22(25)27-23(2,3)4/h5-12,19H,13-16H2,1-4H3
InChIKeyDGAPVBVBYYPLFX-UHFFFAOYSA-N
XLogP5.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[4-(4-methylphenoxy)phenyl]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-(4-methylphenoxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate (CID 90737093) is tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate is Cc1ccc(Oc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.
What is the InChIKey of tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate?
The InChIKey is DGAPVBVBYYPLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-5-9-20(10-6-17)26-21-11-7-18(8-12-21)19-13-15-24(16-14-19)22(25)27-23(2,3)4/h5-12,19H,13-16H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 90737093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).