1-benzyl-4-(2-chlorophenyl)piperazine

C17H19ClN2 — CID 791311

IUPAC1-benzyl-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19ClN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyOIAMAIIGTFXROJ-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.66
Rot. Bonds3

About 1-benzyl-4-(2-chlorophenyl)piperazine

1-benzyl-4-(2-chlorophenyl)piperazine (PubChem CID 791311) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-benzyl-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-chlorophenyl)piperazine
PubChem CID791311
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-benzyl-4-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19ClN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyOIAMAIIGTFXROJ-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-benzyl-4-(2-chlorophenyl)piperazine (CID 791311) is 1-benzyl-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2-chlorophenyl)piperazine is Clc1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-chlorophenyl)piperazine?
The InChIKey is OIAMAIIGTFXROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-8-4-5-9-17(16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(2-chlorophenyl)piperazine?
1-benzyl-4-(2-chlorophenyl)piperazine has a molecular weight of 286.81 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 791311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).