1-(2-iodophenyl)-2-propan-2-ylpiperazine

C13H19IN2 — CID 64932087

IUPAC1-(2-iodophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccccc1I
InChIInChI=1S/C13H19IN2/c1-10(2)13-9-15-7-8-16(13)12-6-4-3-5-11(12)14/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyQJGGWDDVKILZHJ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-iodophenyl)-2-propan-2-ylpiperazine

1-(2-iodophenyl)-2-propan-2-ylpiperazine (PubChem CID 64932087) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-propan-2-ylpiperazine
PubChem CID64932087
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC Name1-(2-iodophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccccc1I
InChIInChI=1S/C13H19IN2/c1-10(2)13-9-15-7-8-16(13)12-6-4-3-5-11(12)14/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyQJGGWDDVKILZHJ-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.73
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-(2-iodophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-iodophenyl)-2-propan-2-ylpiperazine (CID 64932087) is 1-(2-iodophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-iodophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-iodophenyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-propan-2-ylpiperazine?
The InChIKey is QJGGWDDVKILZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2/c1-10(2)13-9-15-7-8-16(13)12-6-4-3-5-11(12)14/h3-6,10,13,15H,7-9H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-2-propan-2-ylpiperazine?
1-(2-iodophenyl)-2-propan-2-ylpiperazine has a molecular weight of 330.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64932087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).