ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate

C14H20N2O3 — CID 2741385

IUPACethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(17)16-10-8-15(9-11-16)12-6-4-5-7-13(12)18-2/h4-7H,3,8-11H2,1-2H3
InChIKeyYFDOAOHRTFGTEU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds3

About ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate

ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 2741385) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate
PubChem CID2741385
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(17)16-10-8-15(9-11-16)12-6-4-5-7-13(12)18-2/h4-7H,3,8-11H2,1-2H3
InChIKeyYFDOAOHRTFGTEU-UHFFFAOYSA-N
XLogP1.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate (CID 2741385) is ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is YFDOAOHRTFGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(17)16-10-8-15(9-11-16)12-6-4-5-7-13(12)18-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate?
ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 2741385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).