methyl 3-(iodomethyl)piperidine-1-carboxylate

C8H14INO2 — CID 143863584

IUPACmethyl 3-(iodomethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CI)C1
InChIInChI=1S/C8H14INO2/c1-12-8(11)10-4-2-3-7(5-9)6-10/h7H,2-6H2,1H3
InChIKeyWYOYQQLGKLRQFI-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.90
Rot. Bonds1

About methyl 3-(iodomethyl)piperidine-1-carboxylate

methyl 3-(iodomethyl)piperidine-1-carboxylate (PubChem CID 143863584) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is methyl 3-(iodomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(iodomethyl)piperidine-1-carboxylate
PubChem CID143863584
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Namemethyl 3-(iodomethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CI)C1
InChIInChI=1S/C8H14INO2/c1-12-8(11)10-4-2-3-7(5-9)6-10/h7H,2-6H2,1H3
InChIKeyWYOYQQLGKLRQFI-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.90
H-Bond Donors ≤ 50
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

methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 112716648
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
methyl 4-(2-oxoethyl)azepane-1-carboxylate
CID 83908232
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of methyl 3-(iodomethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(iodomethyl)piperidine-1-carboxylate (CID 143863584) is methyl 3-(iodomethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(iodomethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(iodomethyl)piperidine-1-carboxylate is COC(=O)N1CCCC(CI)C1.
What is the InChIKey of methyl 3-(iodomethyl)piperidine-1-carboxylate?
The InChIKey is WYOYQQLGKLRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-12-8(11)10-4-2-3-7(5-9)6-10/h7H,2-6H2,1H3.
What are the key properties of methyl 3-(iodomethyl)piperidine-1-carboxylate?
methyl 3-(iodomethyl)piperidine-1-carboxylate has a molecular weight of 283.11 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(iodomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 143863584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).