4-iodo-1-methylpiperidin-3-ol

C6H12INO — CID 134434558

IUPAC4-iodo-1-methylpiperidin-3-ol
SMILESCN1CCC(I)C(O)C1
InChIInChI=1S/C6H12INO/c1-8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyZRDORMWFBXGLGY-UHFFFAOYSA-N
MW241.07 g/mol
LogP0.49
Rot. Bonds

About 4-iodo-1-methylpiperidin-3-ol

4-iodo-1-methylpiperidin-3-ol (PubChem CID 134434558) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 4-iodo-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-iodo-1-methylpiperidin-3-ol
PubChem CID134434558
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name4-iodo-1-methylpiperidin-3-ol
SMILESCN1CCC(I)C(O)C1
InChIInChI=1S/C6H12INO/c1-8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3
InChIKeyZRDORMWFBXGLGY-UHFFFAOYSA-N
XLogP0.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 50.49
H-Bond Donors ≤ 51
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

(3S)-3-fluoro-4-iodo-1-methylpiperidine
CID 167016263
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
(3R,4R)-1-methyl-4-(methylamino)piperidin-3-ol
CID 67311955
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
CID 105430088
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
ethane;3-hydroxy-1-methylpiperidine-4-carbaldehyde;methanamine
CID 168942701
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methylpiperidin-3-ol?
The IUPAC name of 4-iodo-1-methylpiperidin-3-ol (CID 134434558) is 4-iodo-1-methylpiperidin-3-ol.
What is the SMILES notation for 4-iodo-1-methylpiperidin-3-ol?
The canonical SMILES for 4-iodo-1-methylpiperidin-3-ol is CN1CCC(I)C(O)C1.
What is the InChIKey of 4-iodo-1-methylpiperidin-3-ol?
The InChIKey is ZRDORMWFBXGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-8-3-2-5(7)6(9)4-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 4-iodo-1-methylpiperidin-3-ol?
4-iodo-1-methylpiperidin-3-ol has a molecular weight of 241.07 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methylpiperidin-3-ol is sourced from PubChem (CID 134434558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).