1-(4-iodo-2-methoxyphenyl)piperazine

C11H15IN2O — CID 134534497

IUPAC1-(4-iodo-2-methoxyphenyl)piperazine
SMILESCOc1cc(I)ccc1N1CCNCC1
InChIInChI=1S/C11H15IN2O/c1-15-11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeySBDRUNGDKNETLV-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-iodo-2-methoxyphenyl)piperazine

1-(4-iodo-2-methoxyphenyl)piperazine (PubChem CID 134534497) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(4-iodo-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-iodo-2-methoxyphenyl)piperazine
PubChem CID134534497
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name1-(4-iodo-2-methoxyphenyl)piperazine
SMILESCOc1cc(I)ccc1N1CCNCC1
InChIInChI=1S/C11H15IN2O/c1-15-11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeySBDRUNGDKNETLV-UHFFFAOYSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
CID 115047761
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
CID 156693635
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
CID 84754111
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
CID 18918724
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-iodo-2-methoxyphenyl)piperazine (CID 134534497) is 1-(4-iodo-2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-iodo-2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-iodo-2-methoxyphenyl)piperazine is COc1cc(I)ccc1N1CCNCC1.
What is the InChIKey of 1-(4-iodo-2-methoxyphenyl)piperazine?
The InChIKey is SBDRUNGDKNETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-15-11-8-9(12)2-3-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(4-iodo-2-methoxyphenyl)piperazine?
1-(4-iodo-2-methoxyphenyl)piperazine has a molecular weight of 318.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-2-methoxyphenyl)piperazine is sourced from PubChem (CID 134534497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).