(1-iodopiperidin-2-yl)methyloxidanium

C6H13INO+ — CID 143589957

IUPAC(1-iodopiperidin-2-yl)methyloxidanium
SMILES[OH2+]CC1CCCCN1I
InChIInChI=1S/C6H12INO/c7-8-4-2-1-3-6(8)5-9/h6,9H,1-5H2/p+1
InChIKeyRCAOMZNEOFMNJZ-UHFFFAOYSA-O
MW242.08 g/mol
LogP0.92
Rot. Bonds1

About (1-iodopiperidin-2-yl)methyloxidanium

(1-iodopiperidin-2-yl)methyloxidanium (PubChem CID 143589957) has the molecular formula C6H13INO+ and a molecular weight of 242.08 g/mol. Its IUPAC name is (1-iodopiperidin-2-yl)methyloxidanium.

Molecular Properties

Compound Name(1-iodopiperidin-2-yl)methyloxidanium
PubChem CID143589957
Molecular FormulaC6H13INO+
Molecular Weight242.08 g/mol
Exact Mass242.00
IUPAC Name(1-iodopiperidin-2-yl)methyloxidanium
SMILES[OH2+]CC1CCCCN1I
InChIInChI=1S/C6H12INO/c7-8-4-2-1-3-6(8)5-9/h6,9H,1-5H2/p+1
InChIKeyRCAOMZNEOFMNJZ-UHFFFAOYSA-O
XLogP0.92
TPSA26.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-iodopyrrolidine
CID 88932324
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
CID 63386513
1,2-diethylpiperidine
CID 19604037
2-ethyl-1-(4-ethylpiperidin-1-yl)piperidine
CID 70445422
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
2-(chloromethyl)-1-cycloheptylazepane
CID 116638619
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906

Frequently Asked Questions

What is the IUPAC name of (1-iodopiperidin-2-yl)methyloxidanium?
The IUPAC name of (1-iodopiperidin-2-yl)methyloxidanium (CID 143589957) is (1-iodopiperidin-2-yl)methyloxidanium.
What is the SMILES notation for (1-iodopiperidin-2-yl)methyloxidanium?
The canonical SMILES for (1-iodopiperidin-2-yl)methyloxidanium is [OH2+]CC1CCCCN1I.
What is the InChIKey of (1-iodopiperidin-2-yl)methyloxidanium?
The InChIKey is RCAOMZNEOFMNJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12INO/c7-8-4-2-1-3-6(8)5-9/h6,9H,1-5H2/p+1.
What are the key properties of (1-iodopiperidin-2-yl)methyloxidanium?
(1-iodopiperidin-2-yl)methyloxidanium has a molecular weight of 242.08 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodopiperidin-2-yl)methyloxidanium is sourced from PubChem (CID 143589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).