ethyl 3-phenylpiperazine-1-carboxylate

C13H18N2O2 — CID 2771740

IUPACethyl 3-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15-9-8-14-12(10-15)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyXTUSUBACDGCSGD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds2

About ethyl 3-phenylpiperazine-1-carboxylate

ethyl 3-phenylpiperazine-1-carboxylate (PubChem CID 2771740) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 3-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylpiperazine-1-carboxylate
PubChem CID2771740
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 3-phenylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15-9-8-14-12(10-15)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyXTUSUBACDGCSGD-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylpiperazine-1-carboxylate?
The IUPAC name of ethyl 3-phenylpiperazine-1-carboxylate (CID 2771740) is ethyl 3-phenylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 3-phenylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 3-phenylpiperazine-1-carboxylate is CCOC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of ethyl 3-phenylpiperazine-1-carboxylate?
The InChIKey is XTUSUBACDGCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)15-9-8-14-12(10-15)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3.
What are the key properties of ethyl 3-phenylpiperazine-1-carboxylate?
ethyl 3-phenylpiperazine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 2771740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).