4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

C13H26BrNO3 — CID 104567260

IUPAC4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCC(CBr)CC1
InChIInChI=1S/C13H26BrNO3/c1-16-8-9-18-11-10-17-7-6-15-4-2-13(12-14)3-5-15/h13H,2-12H2,1H3
InChIKeyOITPFUUAIFBJDF-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.77
Rot. Bonds10

About 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (PubChem CID 104567260) has the molecular formula C13H26BrNO3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
PubChem CID104567260
Molecular FormulaC13H26BrNO3
Molecular Weight324.26 g/mol
Exact Mass323.11
IUPAC Name4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCN1CCC(CBr)CC1
InChIInChI=1S/C13H26BrNO3/c1-16-8-9-18-11-10-17-7-6-15-4-2-13(12-14)3-5-15/h13H,2-12H2,1H3
InChIKeyOITPFUUAIFBJDF-UHFFFAOYSA-N
XLogP1.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 80677013
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (CID 104567260) is 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is COCCOCCOCCN1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The InChIKey is OITPFUUAIFBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO3/c1-16-8-9-18-11-10-17-7-6-15-4-2-13(12-14)3-5-15/h13H,2-12H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine has a molecular weight of 324.26 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 104567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).