2-[(E)-2-iodoethenyl]piperidin-4-ol

C7H12INO — CID 134858508

IUPAC2-[(E)-2-iodoethenyl]piperidin-4-ol
SMILESOC1CCNC(/C=C/I)C1
InChIInChI=1S/C7H12INO/c8-3-1-6-5-7(10)2-4-9-6/h1,3,6-7,9-10H,2,4-5H2/b3-1+
InChIKeyKSXFTSKUJCMRNK-HNQUOIGGSA-N
MW253.08 g/mol
LogP1.05
Rot. Bonds1

About 2-[(E)-2-iodoethenyl]piperidin-4-ol

2-[(E)-2-iodoethenyl]piperidin-4-ol (PubChem CID 134858508) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is 2-[(E)-2-iodoethenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-[(E)-2-iodoethenyl]piperidin-4-ol
PubChem CID134858508
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name2-[(E)-2-iodoethenyl]piperidin-4-ol
SMILESOC1CCNC(/C=C/I)C1
InChIInChI=1S/C7H12INO/c8-3-1-6-5-7(10)2-4-9-6/h1,3,6-7,9-10H,2,4-5H2/b3-1+
InChIKeyKSXFTSKUJCMRNK-HNQUOIGGSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-iodoethenyl]piperidin-4-ol 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

(2R,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 25231927
(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 55286118
(3S,6S)-6-ethenylpiperidin-3-ol
CID 126725620
2-Ethenylpiperidin-3-ol
CID 139998904
Endo-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 141439588
8-Azabicyclo[3.2.1]oct-6-en-3-ol
CID 55287933
2-Ethenyl-6-methylpiperidin-4-ol
CID 74410143

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-iodoethenyl]piperidin-4-ol?
The IUPAC name of 2-[(E)-2-iodoethenyl]piperidin-4-ol (CID 134858508) is 2-[(E)-2-iodoethenyl]piperidin-4-ol.
What is the SMILES notation for 2-[(E)-2-iodoethenyl]piperidin-4-ol?
The canonical SMILES for 2-[(E)-2-iodoethenyl]piperidin-4-ol is OC1CCNC(/C=C/I)C1.
What is the InChIKey of 2-[(E)-2-iodoethenyl]piperidin-4-ol?
The InChIKey is KSXFTSKUJCMRNK-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H12INO/c8-3-1-6-5-7(10)2-4-9-6/h1,3,6-7,9-10H,2,4-5H2/b3-1+.
What are the key properties of 2-[(E)-2-iodoethenyl]piperidin-4-ol?
2-[(E)-2-iodoethenyl]piperidin-4-ol has a molecular weight of 253.08 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-iodoethenyl]piperidin-4-ol is sourced from PubChem (CID 134858508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).