1-(3-chlorophenyl)-4-ethylpiperazine

C12H17ClN2 — CID 14960352

IUPAC1-(3-chlorophenyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3
InChIKeyOZSJNFWCZQEKCI-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-chlorophenyl)-4-ethylpiperazine

1-(3-chlorophenyl)-4-ethylpiperazine (PubChem CID 14960352) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-ethylpiperazine
PubChem CID14960352
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-(3-chlorophenyl)-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3
InChIKeyOZSJNFWCZQEKCI-UHFFFAOYSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-ethylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-ethylpiperazine (CID 14960352) is 1-(3-chlorophenyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-ethylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-ethylpiperazine is CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-ethylpiperazine?
The InChIKey is OZSJNFWCZQEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-ethylpiperazine?
1-(3-chlorophenyl)-4-ethylpiperazine has a molecular weight of 224.74 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-ethylpiperazine is sourced from PubChem (CID 14960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).