1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine

C10H17IN2S — CID 89272170

IUPAC1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine
SMILESIN1CCN(CCC2CC=CS2)CC1
InChIInChI=1S/C10H17IN2S/c11-13-7-5-12(6-8-13)4-3-10-2-1-9-14-10/h1,9-10H,2-8H2
InChIKeyNPJJHVDIBUGFKB-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine

1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine (PubChem CID 89272170) has the molecular formula C10H17IN2S and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine
PubChem CID89272170
Molecular FormulaC10H17IN2S
Molecular Weight324.23 g/mol
Exact Mass324.02
IUPAC Name1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine
SMILESIN1CCN(CCC2CC=CS2)CC1
InChIInChI=1S/C10H17IN2S/c11-13-7-5-12(6-8-13)4-3-10-2-1-9-14-10/h1,9-10H,2-8H2
InChIKeyNPJJHVDIBUGFKB-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine?
The IUPAC name of 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine (CID 89272170) is 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine.
What is the SMILES notation for 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine?
The canonical SMILES for 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine is IN1CCN(CCC2CC=CS2)CC1.
What is the InChIKey of 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine?
The InChIKey is NPJJHVDIBUGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN2S/c11-13-7-5-12(6-8-13)4-3-10-2-1-9-14-10/h1,9-10H,2-8H2.
What are the key properties of 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine?
1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine has a molecular weight of 324.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydrothiophen-2-yl)ethyl]-4-iodopiperazine is sourced from PubChem (CID 89272170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).