4-bromo-1-(2-methoxyethyl)piperidine

C8H16BrNO — CID 80679814

IUPAC4-bromo-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(Br)CC1
InChIInChI=1S/C8H16BrNO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyXHYUMJPWVSKTLJ-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.49
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)piperidine

4-bromo-1-(2-methoxyethyl)piperidine (PubChem CID 80679814) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)piperidine
PubChem CID80679814
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name4-bromo-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(Br)CC1
InChIInChI=1S/C8H16BrNO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyXHYUMJPWVSKTLJ-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 107913826
1-(2-methoxyethyl)azocane
CID 47014834
ethane;4-ethyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 170586343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)piperidine (CID 80679814) is 4-bromo-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)piperidine is COCCN1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)piperidine?
The InChIKey is XHYUMJPWVSKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)piperidine?
4-bromo-1-(2-methoxyethyl)piperidine has a molecular weight of 222.13 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 80679814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).