1-[2-(4-chlorophenoxy)ethyl]piperazine

C12H17ClN2O — CID 894310

IUPAC1-[2-(4-chlorophenoxy)ethyl]piperazine
SMILESClc1ccc(OCCN2CCNCC2)cc1
InChIInChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKeyDTOPBQLBZBMIFT-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]piperazine

1-[2-(4-chlorophenoxy)ethyl]piperazine (PubChem CID 894310) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]piperazine
PubChem CID894310
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]piperazine
SMILESClc1ccc(OCCN2CCNCC2)cc1
InChIInChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKeyDTOPBQLBZBMIFT-UHFFFAOYSA-N
XLogP1.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]piperazine (CID 894310) is 1-[2-(4-chlorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]piperazine is Clc1ccc(OCCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]piperazine?
The InChIKey is DTOPBQLBZBMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]piperazine?
1-[2-(4-chlorophenoxy)ethyl]piperazine has a molecular weight of 240.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]piperazine is sourced from PubChem (CID 894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).