ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate

C15H23N3O2 — CID 107876844

IUPACethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)18-10-8-17(9-11-18)12(2)13-4-6-14(16)7-5-13/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyHNWZLJWEGSOSIT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds3

About ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate

ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate (PubChem CID 107876844) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
PubChem CID107876844
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)18-10-8-17(9-11-18)12(2)13-4-6-14(16)7-5-13/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyHNWZLJWEGSOSIT-UHFFFAOYSA-N
XLogP2.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate (CID 107876844) is ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(C)c2ccc(N)cc2)CC1.
What is the InChIKey of ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate?
The InChIKey is HNWZLJWEGSOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-15(19)18-10-8-17(9-11-18)12(2)13-4-6-14(16)7-5-13/h4-7,12H,3,8-11,16H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 107876844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).