1-iodo-4-(3-methoxyphenyl)piperazine

C11H15IN2O — CID 142256394

IUPAC1-iodo-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(I)CC2)c1
InChIInChI=1S/C11H15IN2O/c1-15-11-4-2-3-10(9-11)13-5-7-14(12)8-6-13/h2-4,9H,5-8H2,1H3
InChIKeyCDSVVKUDKHTTPN-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.17
Rot. Bonds2

About 1-iodo-4-(3-methoxyphenyl)piperazine

1-iodo-4-(3-methoxyphenyl)piperazine (PubChem CID 142256394) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-iodo-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(3-methoxyphenyl)piperazine
PubChem CID142256394
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name1-iodo-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(I)CC2)c1
InChIInChI=1S/C11H15IN2O/c1-15-11-4-2-3-10(9-11)13-5-7-14(12)8-6-13/h2-4,9H,5-8H2,1H3
InChIKeyCDSVVKUDKHTTPN-UHFFFAOYSA-N
XLogP2.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)azepane
CID 57276431
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-iodo-4-(3-methoxyphenyl)piperazine (CID 142256394) is 1-iodo-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-iodo-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-iodo-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(I)CC2)c1.
What is the InChIKey of 1-iodo-4-(3-methoxyphenyl)piperazine?
The InChIKey is CDSVVKUDKHTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-15-11-4-2-3-10(9-11)13-5-7-14(12)8-6-13/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-iodo-4-(3-methoxyphenyl)piperazine?
1-iodo-4-(3-methoxyphenyl)piperazine has a molecular weight of 318.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 142256394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).