ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

C29H33NO2 — CID 20975957

IUPACethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33NO2/c1-2-32-28(31)29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3
InChIKeyCMWXNQGRYHAOPT-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.81
Rot. Bonds8

About ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 20975957) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
PubChem CID20975957
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Nameethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33NO2/c1-2-32-28(31)29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3
InChIKeyCMWXNQGRYHAOPT-UHFFFAOYSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-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 ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate (CID 20975957) is ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is CMWXNQGRYHAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c1-2-32-28(31)29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3.
What are the key properties of ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 427.59 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 20975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).