1-[2-(3-chlorophenyl)ethyl]piperazine

C12H17ClN2 — CID 19007104

IUPAC1-[2-(3-chlorophenyl)ethyl]piperazine
SMILESClc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C12H17ClN2/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9H2
InChIKeyCLKQGHYYLMDFID-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-(3-chlorophenyl)ethyl]piperazine

1-[2-(3-chlorophenyl)ethyl]piperazine (PubChem CID 19007104) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]piperazine
PubChem CID19007104
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]piperazine
SMILESClc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C12H17ClN2/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9H2
InChIKeyCLKQGHYYLMDFID-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]piperazine (CID 19007104) is 1-[2-(3-chlorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]piperazine is Clc1cccc(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]piperazine?
The InChIKey is CLKQGHYYLMDFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9H2.
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]piperazine?
1-[2-(3-chlorophenyl)ethyl]piperazine has a molecular weight of 224.73 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]piperazine is sourced from PubChem (CID 19007104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).