1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine

C14H26BrNO2 — CID 107394406

IUPAC1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC2(CBr)CCOCC2)C1
InChIInChI=1S/C14H26BrNO2/c1-13(17-2)4-3-7-16(11-13)12-14(10-15)5-8-18-9-6-14/h3-12H2,1-2H3
InChIKeyROBAKMUATDFJRU-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.68
Rot. Bonds4

About 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine

1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine (PubChem CID 107394406) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine
PubChem CID107394406
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC Name1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC2(CBr)CCOCC2)C1
InChIInChI=1S/C14H26BrNO2/c1-13(17-2)4-3-7-16(11-13)12-14(10-15)5-8-18-9-6-14/h3-12H2,1-2H3
InChIKeyROBAKMUATDFJRU-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 107395205
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1,4-oxazepane
CID 65004814
1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 107395224
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
3-methoxy-3-methyl-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 107393283
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-oxazepane
CID 65006636

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine (CID 107394406) is 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine is COC1(C)CCCN(CC2(CBr)CCOCC2)C1.
What is the InChIKey of 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine?
The InChIKey is ROBAKMUATDFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-13(17-2)4-3-7-16(11-13)12-14(10-15)5-8-18-9-6-14/h3-12H2,1-2H3.
What are the key properties of 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine?
1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine has a molecular weight of 320.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 107394406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).