1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

C22H29IN2O2 — CID 170863549

IUPAC1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1ccc(I)cc1
InChIInChI=1S/C22H29IN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-5-10-22(26-2)19(16-18)17-27-21-8-6-20(23)7-9-21/h5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyADTSDYGDNGSSKW-UHFFFAOYSA-N
MW480.39 g/mol
LogP4.06
Rot. Bonds8

About 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (PubChem CID 170863549) has the molecular formula C22H29IN2O2 and a molecular weight of 480.39 g/mol. Its IUPAC name is 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
PubChem CID170863549
Molecular FormulaC22H29IN2O2
Molecular Weight480.39 g/mol
Exact Mass480.13
IUPAC Name1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1ccc(I)cc1
InChIInChI=1S/C22H29IN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-5-10-22(26-2)19(16-18)17-27-21-8-6-20(23)7-9-21/h5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyADTSDYGDNGSSKW-UHFFFAOYSA-N
XLogP4.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine 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

1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
1-[3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]propyl]-4-methylpiperazine
CID 170863483
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863546
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863695
6-methoxy-2-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methylsulfanyl]-1H-benzimidazole
CID 170863627
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (CID 170863549) is 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is COc1ccc(CCCN2CCN(C)CC2)cc1COc1ccc(I)cc1.
What is the InChIKey of 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The InChIKey is ADTSDYGDNGSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29IN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-5-10-22(26-2)19(16-18)17-27-21-8-6-20(23)7-9-21/h5-10,16H,3-4,11-15,17H2,1-2H3.
What are the key properties of 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine has a molecular weight of 480.39 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).