(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane

C8H18INO — CID 153095526

IUPAC(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane
SMILESCCN1CCC(I(C)O)CC1
InChIInChI=1S/C8H18INO/c1-3-10-6-4-8(5-7-10)9(2)11/h8,11H,3-7H2,1-2H3
InChIKeyVQAJPRPELSJMJM-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.51
Rot. Bonds2

About (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane

(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane (PubChem CID 153095526) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane
PubChem CID153095526
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Name(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane
SMILESCCN1CCC(I(C)O)CC1
InChIInChI=1S/C8H18INO/c1-3-10-6-4-8(5-7-10)9(2)11/h8,11H,3-7H2,1-2H3
InChIKeyVQAJPRPELSJMJM-UHFFFAOYSA-N
XLogP1.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.51
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

1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
N-(1-ethylpiperidin-4-yl)hydroxylamine
CID 82685178
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1,4-diethylpiperidine;ethane
CID 143709904
(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol
CID 117266002
1-ethylpiperidine-4-carboxylate
CID 22406282
1-ethyl-4-(2-methylpentan-3-yl)piperidine
CID 170952036
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
5-amino-1-ethylazepan-4-ol
CID 177033460

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane?
The IUPAC name of (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane (CID 153095526) is (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane?
The canonical SMILES for (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane is CCN1CCC(I(C)O)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane?
The InChIKey is VQAJPRPELSJMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18INO/c1-3-10-6-4-8(5-7-10)9(2)11/h8,11H,3-7H2,1-2H3.
What are the key properties of (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane?
(1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane has a molecular weight of 271.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-hydroxy-methyl-λ3-iodane is sourced from PubChem (CID 153095526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).