5-benzyl-1-(3-iodophenyl)-2-methylpiperazine

C18H21IN2 — CID 64938106

IUPAC5-benzyl-1-(3-iodophenyl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1c1cccc(I)c1
InChIInChI=1S/C18H21IN2/c1-14-12-20-17(10-15-6-3-2-4-7-15)13-21(14)18-9-5-8-16(19)11-18/h2-9,11,14,17,20H,10,12-13H2,1H3
InChIKeyNPVMYZGHJCJAOU-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.70
Rot. Bonds3

About 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine

5-benzyl-1-(3-iodophenyl)-2-methylpiperazine (PubChem CID 64938106) has the molecular formula C18H21IN2 and a molecular weight of 392.28 g/mol. Its IUPAC name is 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(3-iodophenyl)-2-methylpiperazine
PubChem CID64938106
Molecular FormulaC18H21IN2
Molecular Weight392.28 g/mol
Exact Mass392.07
IUPAC Name5-benzyl-1-(3-iodophenyl)-2-methylpiperazine
SMILESCC1CNC(Cc2ccccc2)CN1c1cccc(I)c1
InChIInChI=1S/C18H21IN2/c1-14-12-20-17(10-15-6-3-2-4-7-15)13-21(14)18-9-5-8-16(19)11-18/h2-9,11,14,17,20H,10,12-13H2,1H3
InChIKeyNPVMYZGHJCJAOU-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.70
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 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine?
The IUPAC name of 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine (CID 64938106) is 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine.
What is the SMILES notation for 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine?
The canonical SMILES for 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine is CC1CNC(Cc2ccccc2)CN1c1cccc(I)c1.
What is the InChIKey of 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine?
The InChIKey is NPVMYZGHJCJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2/c1-14-12-20-17(10-15-6-3-2-4-7-15)13-21(14)18-9-5-8-16(19)11-18/h2-9,11,14,17,20H,10,12-13H2,1H3.
What are the key properties of 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine?
5-benzyl-1-(3-iodophenyl)-2-methylpiperazine has a molecular weight of 392.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-iodophenyl)-2-methylpiperazine is sourced from PubChem (CID 64938106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).