tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate

C24H29NO2 — CID 154707143

IUPACtert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c1-24(2,3)27-23(26)25-16-14-19(15-17-25)18-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19H,14-17H2,1-3H3
InChIKeyXUOVUXHNNRITDS-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.77
Rot. Bonds3

About tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate

tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate (PubChem CID 154707143) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate
PubChem CID154707143
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H29NO2/c1-24(2,3)27-23(26)25-16-14-19(15-17-25)18-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19H,14-17H2,1-3H3
InChIKeyXUOVUXHNNRITDS-UHFFFAOYSA-N
XLogP5.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-(2,2-diphenylethenyl)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-(2,2-diphenylethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate (CID 154707143) is tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate?
The InChIKey is XUOVUXHNNRITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-24(2,3)27-23(26)25-16-14-19(15-17-25)18-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19H,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate?
tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 154707143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).