4-iodoazepan-3-ol

C6H12INO — CID 118248122

IUPAC4-iodoazepan-3-ol
SMILESOC1CNCCCC1I
InChIInChI=1S/C6H12INO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyOZANWRTVRJVTJR-UHFFFAOYSA-N
MW241.07 g/mol
LogP0.53
Rot. Bonds

About 4-iodoazepan-3-ol

4-iodoazepan-3-ol (PubChem CID 118248122) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 4-iodoazepan-3-ol.

Molecular Properties

Compound Name4-iodoazepan-3-ol
PubChem CID118248122
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name4-iodoazepan-3-ol
SMILESOC1CNCCCC1I
InChIInChI=1S/C6H12INO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2
InChIKeyOZANWRTVRJVTJR-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 50.53
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'}

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Related Compounds

(3R,4R)-4-fluoroazepan-3-ol
CID 118230290
piperidin-3-ol;dihydrochloride
CID 67374500
piperidin-3-ylmethanediol
CID 5231808
1,5-diazocan-3-ol
CID 71359715
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
piperidin-3-ol;propane-2,2-diol
CID 142962358
cyclopentyl(piperidin-3-yl)methanol
CID 80560291
oxalic acid;piperidin-3-ol
CID 162306197
4-aminopiperidin-3-ol
CID 54373786
pyrrolidine;(3S)-pyrrolidin-3-ol
CID 67190741
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-5,8-diol
CID 117046492
2-[(3S)-piperidin-3-yl]oxycyclopentan-1-ol
CID 106940503

Frequently Asked Questions

What is the IUPAC name of 4-iodoazepan-3-ol?
The IUPAC name of 4-iodoazepan-3-ol (CID 118248122) is 4-iodoazepan-3-ol.
What is the SMILES notation for 4-iodoazepan-3-ol?
The canonical SMILES for 4-iodoazepan-3-ol is OC1CNCCCC1I.
What is the InChIKey of 4-iodoazepan-3-ol?
The InChIKey is OZANWRTVRJVTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c7-5-2-1-3-8-4-6(5)9/h5-6,8-9H,1-4H2.
What are the key properties of 4-iodoazepan-3-ol?
4-iodoazepan-3-ol has a molecular weight of 241.07 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodoazepan-3-ol is sourced from PubChem (CID 118248122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).