1-(4-chlorophenoxy)piperazine

C10H13ClN2O — CID 139967013

IUPAC1-(4-chlorophenoxy)piperazine
SMILESClc1ccc(ON2CCNCC2)cc1
InChIInChI=1S/C10H13ClN2O/c11-9-1-3-10(4-2-9)14-13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyOWAXXODTLIWATN-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-chlorophenoxy)piperazine

1-(4-chlorophenoxy)piperazine (PubChem CID 139967013) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)piperazine
PubChem CID139967013
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-(4-chlorophenoxy)piperazine
SMILESClc1ccc(ON2CCNCC2)cc1
InChIInChI=1S/C10H13ClN2O/c11-9-1-3-10(4-2-9)14-13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyOWAXXODTLIWATN-UHFFFAOYSA-N
XLogP1.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)piperazine?
The IUPAC name of 1-(4-chlorophenoxy)piperazine (CID 139967013) is 1-(4-chlorophenoxy)piperazine.
What is the SMILES notation for 1-(4-chlorophenoxy)piperazine?
The canonical SMILES for 1-(4-chlorophenoxy)piperazine is Clc1ccc(ON2CCNCC2)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)piperazine?
The InChIKey is OWAXXODTLIWATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-1-3-10(4-2-9)14-13-7-5-12-6-8-13/h1-4,12H,5-8H2.
What are the key properties of 1-(4-chlorophenoxy)piperazine?
1-(4-chlorophenoxy)piperazine has a molecular weight of 212.68 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)piperazine is sourced from PubChem (CID 139967013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).