ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate

C25H33NO3 — CID 42567082

IUPACethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H33NO3/c1-3-29-24(27)25(16-19-28-2)14-17-26(18-15-25)20-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3
InChIKeyQEWLNPBSGHCBHQ-UHFFFAOYSA-N
MW395.54 g/mol
LogP4.50
Rot. Bonds9

About ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 42567082) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID42567082
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Nameethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H33NO3/c1-3-29-24(27)25(16-19-28-2)14-17-26(18-15-25)20-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3
InChIKeyQEWLNPBSGHCBHQ-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate (CID 42567082) is ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is QEWLNPBSGHCBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-3-29-24(27)25(16-19-28-2)14-17-26(18-15-25)20-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,3,14-20H2,1-2H3.
What are the key properties of ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 395.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-diphenylethyl)-4-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 42567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).