4-iodo-1-methyl-4-(2-methylpropyl)piperidine

C10H20IN — CID 143500232

IUPAC4-iodo-1-methyl-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1(I)CCN(C)CC1
InChIInChI=1S/C10H20IN/c1-9(2)8-10(11)4-6-12(3)7-5-10/h9H,4-8H2,1-3H3
InChIKeyWHRHCJWLAGZAEJ-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.93
Rot. Bonds2

About 4-iodo-1-methyl-4-(2-methylpropyl)piperidine

4-iodo-1-methyl-4-(2-methylpropyl)piperidine (PubChem CID 143500232) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 4-iodo-1-methyl-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-iodo-1-methyl-4-(2-methylpropyl)piperidine
PubChem CID143500232
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name4-iodo-1-methyl-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1(I)CCN(C)CC1
InChIInChI=1S/C10H20IN/c1-9(2)8-10(11)4-6-12(3)7-5-10/h9H,4-8H2,1-3H3
InChIKeyWHRHCJWLAGZAEJ-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.93
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

1-[1-methyl-4-(2-methylpropyl)piperidin-4-yl]ethenamine
CID 137471274
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
4-(2,3-dimethylbutyl)-4-fluoro-1-methylpiperidine
CID 134373431
3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
1-(6-methyl-6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84658706
4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
CID 84797346
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
ethane;N,N,3-trimethylbutan-1-amine;1,4,4-trimethylpiperidine
CID 178111344
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-4-(2-methylpropyl)piperidine?
The IUPAC name of 4-iodo-1-methyl-4-(2-methylpropyl)piperidine (CID 143500232) is 4-iodo-1-methyl-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-iodo-1-methyl-4-(2-methylpropyl)piperidine?
The canonical SMILES for 4-iodo-1-methyl-4-(2-methylpropyl)piperidine is CC(C)CC1(I)CCN(C)CC1.
What is the InChIKey of 4-iodo-1-methyl-4-(2-methylpropyl)piperidine?
The InChIKey is WHRHCJWLAGZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-9(2)8-10(11)4-6-12(3)7-5-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-iodo-1-methyl-4-(2-methylpropyl)piperidine?
4-iodo-1-methyl-4-(2-methylpropyl)piperidine has a molecular weight of 281.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 143500232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).