3-iodo-1-methylpiperidine

C6H12IN — CID 66569181

IUPAC3-iodo-1-methylpiperidine
SMILESCN1CCCC(I)C1
InChIInChI=1S/C6H12IN/c1-8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyIELOUGOZFCNFEG-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.52
Rot. Bonds

About 3-iodo-1-methylpiperidine

3-iodo-1-methylpiperidine (PubChem CID 66569181) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 3-iodo-1-methylpiperidine.

Molecular Properties

Compound Name3-iodo-1-methylpiperidine
PubChem CID66569181
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name3-iodo-1-methylpiperidine
SMILESCN1CCCC(I)C1
InChIInChI=1S/C6H12IN/c1-8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyIELOUGOZFCNFEG-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
1,3,4-trimethylazepane
CID 59081993
S-(1-methylpiperidin-3-yl) ethanethioate
CID 102537393
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
1-methyl-3-phenylsulfanylpiperidine
CID 142412320
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methylpiperidine?
The IUPAC name of 3-iodo-1-methylpiperidine (CID 66569181) is 3-iodo-1-methylpiperidine.
What is the SMILES notation for 3-iodo-1-methylpiperidine?
The canonical SMILES for 3-iodo-1-methylpiperidine is CN1CCCC(I)C1.
What is the InChIKey of 3-iodo-1-methylpiperidine?
The InChIKey is IELOUGOZFCNFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-8-4-2-3-6(7)5-8/h6H,2-5H2,1H3.
What are the key properties of 3-iodo-1-methylpiperidine?
3-iodo-1-methylpiperidine has a molecular weight of 225.07 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylpiperidine is sourced from PubChem (CID 66569181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).