tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate

C26H33NO2 — CID 154722684

IUPACtert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H33NO2/c1-19-6-10-22(11-7-19)24(23-12-8-20(2)9-13-23)18-21-14-16-27(17-15-21)25(28)29-26(3,4)5/h6-13,18,21H,14-17H2,1-5H3
InChIKeySNBLXRQBTZXFHC-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.38
Rot. Bonds3

About tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate

tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate (PubChem CID 154722684) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate
PubChem CID154722684
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Nametert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate
SMILESCc1ccc(C(=CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H33NO2/c1-19-6-10-22(11-7-19)24(23-12-8-20(2)9-13-23)18-21-14-16-27(17-15-21)25(28)29-26(3,4)5/h6-13,18,21H,14-17H2,1-5H3
InChIKeySNBLXRQBTZXFHC-UHFFFAOYSA-N
XLogP6.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]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-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate (CID 154722684) is tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate is Cc1ccc(C(=CC2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate?
The InChIKey is SNBLXRQBTZXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-19-6-10-22(11-7-19)24(23-12-8-20(2)9-13-23)18-21-14-16-27(17-15-21)25(28)29-26(3,4)5/h6-13,18,21H,14-17H2,1-5H3.
What are the key properties of tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate?
tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate has a molecular weight of 391.56 g/mol, XLogP of 6.38, 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-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 154722684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).