ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate

C15H22N2O2 — CID 888012

IUPACethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)17-10-8-16(9-11-17)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3
InChIKeyDEEXLKKUVZFNST-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds2

About ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate

ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate (PubChem CID 888012) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate
PubChem CID888012
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)17-10-8-16(9-11-17)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3
InChIKeyDEEXLKKUVZFNST-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate (CID 888012) is ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate?
The InChIKey is DEEXLKKUVZFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-15(18)17-10-8-16(9-11-17)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3.
What are the key properties of ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate?
ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dimethylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 888012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).