3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine

C18H21ClN2 — CID 126676346

IUPAC3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine
SMILESCCc1cccc(N2CCNC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C18H21ClN2/c1-2-14-5-3-8-17(11-14)21-10-9-20-18(13-21)15-6-4-7-16(19)12-15/h3-8,11-12,18,20H,2,9-10,13H2,1H3
InChIKeyNHWGZCYAKPPMCW-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.05
Rot. Bonds3

About 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine

3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine (PubChem CID 126676346) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine
PubChem CID126676346
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine
SMILESCCc1cccc(N2CCNC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C18H21ClN2/c1-2-14-5-3-8-17(11-14)21-10-9-20-18(13-21)15-6-4-7-16(19)12-15/h3-8,11-12,18,20H,2,9-10,13H2,1H3
InChIKeyNHWGZCYAKPPMCW-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine?
The IUPAC name of 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine (CID 126676346) is 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine is CCc1cccc(N2CCNC(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine?
The InChIKey is NHWGZCYAKPPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-2-14-5-3-8-17(11-14)21-10-9-20-18(13-21)15-6-4-7-16(19)12-15/h3-8,11-12,18,20H,2,9-10,13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine?
3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine has a molecular weight of 300.83 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine is sourced from PubChem (CID 126676346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).