1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine

C14H21IN2 — CID 65491363

IUPAC1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1Cc1ccc(I)cc1
InChIInChI=1S/C14H21IN2/c1-11-8-16-14(2,3)10-17(11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOXJKJFURCZOSLA-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.86
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine

1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine (PubChem CID 65491363) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
PubChem CID65491363
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1Cc1ccc(I)cc1
InChIInChI=1S/C14H21IN2/c1-11-8-16-14(2,3)10-17(11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyOXJKJFURCZOSLA-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.86
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)methyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine (CID 65491363) is 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1Cc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine?
The InChIKey is OXJKJFURCZOSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-11-8-16-14(2,3)10-17(11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine?
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine has a molecular weight of 344.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 65491363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).