3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde

C10H18INO — CID 174646268

IUPAC3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)C(C)(I)C1(C)C
InChIInChI=1S/C10H18INO/c1-9(2)10(3,11)8(7-13)5-6-12(9)4/h7-8H,5-6H2,1-4H3
InChIKeyDSJZBXCHVCIYLZ-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.11
Rot. Bonds1

About 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde

3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde (PubChem CID 174646268) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde
PubChem CID174646268
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC Name3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)C(C)(I)C1(C)C
InChIInChI=1S/C10H18INO/c1-9(2)10(3,11)8(7-13)5-6-12(9)4/h7-8H,5-6H2,1-4H3
InChIKeyDSJZBXCHVCIYLZ-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
(1,2,2,3,3-pentamethylpiperidin-4-yl)phosphane
CID 174894151
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108
2-methylcyclohex-3-ene-1,2-dicarbaldehyde
CID 54012378
2,2,5,5-tetramethyloxolane-3-carbaldehyde
CID 79934388
2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
1,2,2,3-tetramethylimidazolidine-4-carbaldehyde
CID 174473687
(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane
CID 90327715
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
2,2-dimethylthietane-3-carbaldehyde
CID 174576268
2,2,6,6-tetramethylpiperidine-3-carbaldehyde
CID 138564132
1-methylpyrrolidine-3-carbaldehyde
CID 19841633

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde?
The IUPAC name of 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde (CID 174646268) is 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde?
The canonical SMILES for 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde is CN1CCC(C=O)C(C)(I)C1(C)C.
What is the InChIKey of 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde?
The InChIKey is DSJZBXCHVCIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO/c1-9(2)10(3,11)8(7-13)5-6-12(9)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde?
3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde has a molecular weight of 295.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 174646268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).