1-(3-chlorophenoxy)piperazine

C10H13ClN2O — CID 151374621

IUPAC1-(3-chlorophenoxy)piperazine
SMILESClc1cccc(ON2CCNCC2)c1
InChIInChI=1S/C10H13ClN2O/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyORDWJTLYFSPZEL-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.54
Rot. Bonds2

About 1-(3-chlorophenoxy)piperazine

1-(3-chlorophenoxy)piperazine (PubChem CID 151374621) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)piperazine
PubChem CID151374621
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-(3-chlorophenoxy)piperazine
SMILESClc1cccc(ON2CCNCC2)c1
InChIInChI=1S/C10H13ClN2O/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyORDWJTLYFSPZEL-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-(3-chlorophenoxy)piperazine?
The IUPAC name of 1-(3-chlorophenoxy)piperazine (CID 151374621) is 1-(3-chlorophenoxy)piperazine.
What is the SMILES notation for 1-(3-chlorophenoxy)piperazine?
The canonical SMILES for 1-(3-chlorophenoxy)piperazine is Clc1cccc(ON2CCNCC2)c1.
What is the InChIKey of 1-(3-chlorophenoxy)piperazine?
The InChIKey is ORDWJTLYFSPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2.
What are the key properties of 1-(3-chlorophenoxy)piperazine?
1-(3-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-(3-chlorophenoxy)piperazine is sourced from PubChem (CID 151374621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).