1-(4-iodophenyl)-2,5,5-trimethylpiperazine

C13H19IN2 — CID 64935112

IUPAC1-(4-iodophenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(I)cc1
InChIInChI=1S/C13H19IN2/c1-10-8-15-13(2,3)9-16(10)12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyQCAKKNQVXMCDDX-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.87
Rot. Bonds1

About 1-(4-iodophenyl)-2,5,5-trimethylpiperazine

1-(4-iodophenyl)-2,5,5-trimethylpiperazine (PubChem CID 64935112) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-iodophenyl)-2,5,5-trimethylpiperazine
PubChem CID64935112
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC Name1-(4-iodophenyl)-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1c1ccc(I)cc1
InChIInChI=1S/C13H19IN2/c1-10-8-15-13(2,3)9-16(10)12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeyQCAKKNQVXMCDDX-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.87
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-(4-iodophenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(4-iodophenyl)-2,5,5-trimethylpiperazine (CID 64935112) is 1-(4-iodophenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-iodophenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(4-iodophenyl)-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2,5,5-trimethylpiperazine?
The InChIKey is QCAKKNQVXMCDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2/c1-10-8-15-13(2,3)9-16(10)12-6-4-11(14)5-7-12/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-2,5,5-trimethylpiperazine?
1-(4-iodophenyl)-2,5,5-trimethylpiperazine has a molecular weight of 330.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64935112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).