(2S)-2-iodo-1-methylpiperidine

C6H12IN — CID 130374385

IUPAC(2S)-2-iodo-1-methylpiperidine
SMILESCN1CCCC[C@@H]1I
InChIInChI=1S/C6H12IN/c1-8-5-3-2-4-6(8)7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyGBSOHOKSONSPFW-ZCFIWIBFSA-N
MW225.07 g/mol
LogP1.86
Rot. Bonds

About (2S)-2-iodo-1-methylpiperidine

(2S)-2-iodo-1-methylpiperidine (PubChem CID 130374385) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is (2S)-2-iodo-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-iodo-1-methylpiperidine
PubChem CID130374385
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name(2S)-2-iodo-1-methylpiperidine
SMILESCN1CCCC[C@@H]1I
InChIInChI=1S/C6H12IN/c1-8-5-3-2-4-6(8)7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyGBSOHOKSONSPFW-ZCFIWIBFSA-N
XLogP1.86
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 ≤ 51.86
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
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(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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(2R)-2-ethyl-1-methylpiperidine
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CID 143862293
CID 59102207
CID 59102207
2-methoxy-1-methylpiperidine
CID 23222665
1,2,3-trimethylazocane
CID 58293714
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
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CID 90987666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-iodo-1-methylpiperidine?
The IUPAC name of (2S)-2-iodo-1-methylpiperidine (CID 130374385) is (2S)-2-iodo-1-methylpiperidine.
What is the SMILES notation for (2S)-2-iodo-1-methylpiperidine?
The canonical SMILES for (2S)-2-iodo-1-methylpiperidine is CN1CCCC[C@@H]1I.
What is the InChIKey of (2S)-2-iodo-1-methylpiperidine?
The InChIKey is GBSOHOKSONSPFW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12IN/c1-8-5-3-2-4-6(8)7/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2S)-2-iodo-1-methylpiperidine?
(2S)-2-iodo-1-methylpiperidine has a molecular weight of 225.07 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-iodo-1-methylpiperidine is sourced from PubChem (CID 130374385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).