1-(iodomethyl)-4-methoxy-4-methylpiperidine

C8H16INO — CID 166768367

IUPAC1-(iodomethyl)-4-methoxy-4-methylpiperidine
SMILESCOC1(C)CCN(CI)CC1
InChIInChI=1S/C8H16INO/c1-8(11-2)3-5-10(7-9)6-4-8/h3-7H2,1-2H3
InChIKeyINQRBPIGMNGICH-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.88
Rot. Bonds2

About 1-(iodomethyl)-4-methoxy-4-methylpiperidine

1-(iodomethyl)-4-methoxy-4-methylpiperidine (PubChem CID 166768367) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-(iodomethyl)-4-methoxy-4-methylpiperidine.

Molecular Properties

Compound Name1-(iodomethyl)-4-methoxy-4-methylpiperidine
PubChem CID166768367
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name1-(iodomethyl)-4-methoxy-4-methylpiperidine
SMILESCOC1(C)CCN(CI)CC1
InChIInChI=1S/C8H16INO/c1-8(11-2)3-5-10(7-9)6-4-8/h3-7H2,1-2H3
InChIKeyINQRBPIGMNGICH-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.88
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-4-methylpiperidin-1-yl)-2-methylpropan-2-ol
CID 130165718
1,4-dimethoxy-4-methylpiperidine
CID 91124438
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
1-methoxy-1-methylcyclodecane
CID 23154687
1-methoxy-1-methylcyclononane
CID 123479365
2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
CID 163258830
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
CID 130591060
2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
CID 167795344
4-methoxy-1,4-dimethylcyclohexan-1-amine
CID 90857551
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-methoxy-4-methylpiperidine?
The IUPAC name of 1-(iodomethyl)-4-methoxy-4-methylpiperidine (CID 166768367) is 1-(iodomethyl)-4-methoxy-4-methylpiperidine.
What is the SMILES notation for 1-(iodomethyl)-4-methoxy-4-methylpiperidine?
The canonical SMILES for 1-(iodomethyl)-4-methoxy-4-methylpiperidine is COC1(C)CCN(CI)CC1.
What is the InChIKey of 1-(iodomethyl)-4-methoxy-4-methylpiperidine?
The InChIKey is INQRBPIGMNGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-8(11-2)3-5-10(7-9)6-4-8/h3-7H2,1-2H3.
What are the key properties of 1-(iodomethyl)-4-methoxy-4-methylpiperidine?
1-(iodomethyl)-4-methoxy-4-methylpiperidine has a molecular weight of 269.13 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-methoxy-4-methylpiperidine is sourced from PubChem (CID 166768367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).