1-(3-iodophenyl)-3-phenylpiperazine

C16H17IN2 — CID 64926086

IUPAC1-(3-iodophenyl)-3-phenylpiperazine
SMILESIc1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C16H17IN2/c17-14-7-4-8-15(11-14)19-10-9-18-16(12-19)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12H2
InChIKeyRJHCREKNBGZNPL-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.44
Rot. Bonds2

About 1-(3-iodophenyl)-3-phenylpiperazine

1-(3-iodophenyl)-3-phenylpiperazine (PubChem CID 64926086) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-phenylpiperazine
PubChem CID64926086
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name1-(3-iodophenyl)-3-phenylpiperazine
SMILESIc1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C16H17IN2/c17-14-7-4-8-15(11-14)19-10-9-18-16(12-19)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12H2
InChIKeyRJHCREKNBGZNPL-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-phenylpiperazine?
The IUPAC name of 1-(3-iodophenyl)-3-phenylpiperazine (CID 64926086) is 1-(3-iodophenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(3-iodophenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(3-iodophenyl)-3-phenylpiperazine is Ic1cccc(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of 1-(3-iodophenyl)-3-phenylpiperazine?
The InChIKey is RJHCREKNBGZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2/c17-14-7-4-8-15(11-14)19-10-9-18-16(12-19)13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12H2.
What are the key properties of 1-(3-iodophenyl)-3-phenylpiperazine?
1-(3-iodophenyl)-3-phenylpiperazine has a molecular weight of 364.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-phenylpiperazine is sourced from PubChem (CID 64926086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).