1-(2-chloro-3-ethylphenyl)piperazine

C12H17ClN2 — CID 130431277

IUPAC1-(2-chloro-3-ethylphenyl)piperazine
SMILESCCc1cccc(N2CCNCC2)c1Cl
InChIInChI=1S/C12H17ClN2/c1-2-10-4-3-5-11(12(10)13)15-8-6-14-7-9-15/h3-5,14H,2,6-9H2,1H3
InChIKeyCKRMQSOTIYEXQI-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-chloro-3-ethylphenyl)piperazine

1-(2-chloro-3-ethylphenyl)piperazine (PubChem CID 130431277) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(2-chloro-3-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-3-ethylphenyl)piperazine
PubChem CID130431277
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(2-chloro-3-ethylphenyl)piperazine
SMILESCCc1cccc(N2CCNCC2)c1Cl
InChIInChI=1S/C12H17ClN2/c1-2-10-4-3-5-11(12(10)13)15-8-6-14-7-9-15/h3-5,14H,2,6-9H2,1H3
InChIKeyCKRMQSOTIYEXQI-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-ethylphenyl)piperazine?
The IUPAC name of 1-(2-chloro-3-ethylphenyl)piperazine (CID 130431277) is 1-(2-chloro-3-ethylphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-3-ethylphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-3-ethylphenyl)piperazine is CCc1cccc(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-ethylphenyl)piperazine?
The InChIKey is CKRMQSOTIYEXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-10-4-3-5-11(12(10)13)15-8-6-14-7-9-15/h3-5,14H,2,6-9H2,1H3.
What are the key properties of 1-(2-chloro-3-ethylphenyl)piperazine?
1-(2-chloro-3-ethylphenyl)piperazine has a molecular weight of 224.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-ethylphenyl)piperazine is sourced from PubChem (CID 130431277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).