3-(4-chlorophenyl)-1-phenylpiperazine

C16H17ClN2 — CID 68577139

IUPAC3-(4-chlorophenyl)-1-phenylpiperazine
SMILESClc1ccc(C2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C16H17ClN2/c17-14-8-6-13(7-9-14)16-12-19(11-10-18-16)15-4-2-1-3-5-15/h1-9,16,18H,10-12H2
InChIKeyXAXJZZCPOBBCEO-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.49
Rot. Bonds2

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

3-(4-chlorophenyl)-1-phenylpiperazine (PubChem CID 68577139) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenylpiperazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenylpiperazine
PubChem CID68577139
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-(4-chlorophenyl)-1-phenylpiperazine
SMILESClc1ccc(C2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C16H17ClN2/c17-14-8-6-13(7-9-14)16-12-19(11-10-18-16)15-4-2-1-3-5-15/h1-9,16,18H,10-12H2
InChIKeyXAXJZZCPOBBCEO-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenylpiperazine?
The IUPAC name of 3-(4-chlorophenyl)-1-phenylpiperazine (CID 68577139) is 3-(4-chlorophenyl)-1-phenylpiperazine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenylpiperazine?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenylpiperazine is Clc1ccc(C2CN(c3ccccc3)CCN2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenylpiperazine?
The InChIKey is XAXJZZCPOBBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-8-6-13(7-9-14)16-12-19(11-10-18-16)15-4-2-1-3-5-15/h1-9,16,18H,10-12H2.
What are the key properties of 3-(4-chlorophenyl)-1-phenylpiperazine?
3-(4-chlorophenyl)-1-phenylpiperazine has a molecular weight of 272.78 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenylpiperazine is sourced from PubChem (CID 68577139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).