ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate

C22H27NO3 — CID 29236

IUPACethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyUHGVOIJOFSZPSF-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.66
Rot. Bonds7

About ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 29236) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate
PubChem CID29236
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nameethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3
InChIKeyUHGVOIJOFSZPSF-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-phenoxyethyl)-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-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate (CID 29236) is ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCOc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is UHGVOIJOFSZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3.
What are the key properties of ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 29236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).