6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol

C11H18INO — CID 89022011

IUPAC6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol
SMILESOC1=CCC(I)NC1C1CCCCC1
InChIInChI=1S/C11H18INO/c12-10-7-6-9(14)11(13-10)8-4-2-1-3-5-8/h6,8,10-11,13-14H,1-5,7H2
InChIKeyWXTYDOROCLHDBV-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.13
Rot. Bonds1

About 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol

6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol (PubChem CID 89022011) has the molecular formula C11H18INO and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol
PubChem CID89022011
Molecular FormulaC11H18INO
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC Name6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol
SMILESOC1=CCC(I)NC1C1CCCCC1
InChIInChI=1S/C11H18INO/c12-10-7-6-9(14)11(13-10)8-4-2-1-3-5-8/h6,8,10-11,13-14H,1-5,7H2
InChIKeyWXTYDOROCLHDBV-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol?
The IUPAC name of 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol (CID 89022011) is 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol.
What is the SMILES notation for 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol?
The canonical SMILES for 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol is OC1=CCC(I)NC1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol?
The InChIKey is WXTYDOROCLHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO/c12-10-7-6-9(14)11(13-10)8-4-2-1-3-5-8/h6,8,10-11,13-14H,1-5,7H2.
What are the key properties of 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol?
6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol has a molecular weight of 307.18 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol is sourced from PubChem (CID 89022011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).