ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate

C21H26N2O2 — CID 783574

IUPACethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-25-21(24)23-15-13-22(14-16-23)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyNNWZFKVGMPTAGD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.59
Rot. Bonds5

About ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate

ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate (PubChem CID 783574) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate
PubChem CID783574
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Nameethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-2-25-21(24)23-15-13-22(14-16-23)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyNNWZFKVGMPTAGD-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate (CID 783574) is ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate?
The InChIKey is NNWZFKVGMPTAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-25-21(24)23-15-13-22(14-16-23)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3.
What are the key properties of ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate?
ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2-diphenylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 783574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).