2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol

C11H19ClINO — CID 163117424

IUPAC2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol
SMILESOC1CCC(I)NC1C1CCC(Cl)CC1
InChIInChI=1S/C11H19ClINO/c12-8-3-1-7(2-4-8)11-9(15)5-6-10(13)14-11/h7-11,14-15H,1-6H2
InChIKeyFXDBMSCHVYNYDJ-UHFFFAOYSA-N
MW343.64 g/mol
LogP2.66
Rot. Bonds1

About 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol

2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol (PubChem CID 163117424) has the molecular formula C11H19ClINO and a molecular weight of 343.64 g/mol. Its IUPAC name is 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol.

Molecular Properties

Compound Name2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol
PubChem CID163117424
Molecular FormulaC11H19ClINO
Molecular Weight343.64 g/mol
Exact Mass343.02
IUPAC Name2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol
SMILESOC1CCC(I)NC1C1CCC(Cl)CC1
InChIInChI=1S/C11H19ClINO/c12-8-3-1-7(2-4-8)11-9(15)5-6-10(13)14-11/h7-11,14-15H,1-6H2
InChIKeyFXDBMSCHVYNYDJ-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 52.66
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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Related Compounds

(2R,3aS,6R,6aR)-2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
CID 124678537
6-azabicyclo[3.1.0]hexan-2-ol
CID 55301151
(1R,4R,5S,6S)-7-azabicyclo[4.2.0]octane-4,5-diol
CID 166000280
(2S)-bicyclo[3.2.2]nonan-2-ol
CID 10749279
2-cyclobutylpiperidin-3-ol
CID 115012112
chlorocyclopropane;1,2,3,4,5,6-hexachlorocyclohexane
CID 88651642
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
carbonic acid;cyclobutane-1,2-diol
CID 122598363
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 99123348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol?
The IUPAC name of 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol (CID 163117424) is 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol.
What is the SMILES notation for 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol?
The canonical SMILES for 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol is OC1CCC(I)NC1C1CCC(Cl)CC1.
What is the InChIKey of 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol?
The InChIKey is FXDBMSCHVYNYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClINO/c12-8-3-1-7(2-4-8)11-9(15)5-6-10(13)14-11/h7-11,14-15H,1-6H2.
What are the key properties of 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol?
2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol has a molecular weight of 343.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorocyclohexyl)-6-iodopiperidin-3-ol is sourced from PubChem (CID 163117424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).