[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite

C12H17IN2O — CID 131966181

IUPAC[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite
SMILESCc1ccc(CN2CCN(OI)CC2)cc1
InChIInChI=1S/C12H17IN2O/c1-11-2-4-12(5-3-11)10-14-6-8-15(16-13)9-7-14/h2-5H,6-10H2,1H3
InChIKeyRVDCSPFTGQXRSJ-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.39
Rot. Bonds3

About [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite

[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite (PubChem CID 131966181) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite
PubChem CID131966181
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite
SMILESCc1ccc(CN2CCN(OI)CC2)cc1
InChIInChI=1S/C12H17IN2O/c1-11-2-4-12(5-3-11)10-14-6-8-15(16-13)9-7-14/h2-5H,6-10H2,1H3
InChIKeyRVDCSPFTGQXRSJ-UHFFFAOYSA-N
XLogP2.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl) hypoiodite
CID 144778500
1-[(4-methylphenyl)methyl]azepane
CID 3951815
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
CID 23935430
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
4-[(4-methylphenyl)methyl]piperazine-1-sulfinic acid
CID 123223011
1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19297267
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite?
The IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite (CID 131966181) is [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite?
The canonical SMILES for [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite is Cc1ccc(CN2CCN(OI)CC2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite?
The InChIKey is RVDCSPFTGQXRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-11-2-4-12(5-3-11)10-14-6-8-15(16-13)9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite?
[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite has a molecular weight of 332.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite is sourced from PubChem (CID 131966181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).