2-(bromomethyl)-1-(2-ethoxyethyl)piperidine

C10H20BrNO — CID 80674315

IUPAC2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
SMILESCCOCCN1CCCCC1CBr
InChIInChI=1S/C10H20BrNO/c1-2-13-8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyDQYPPTSIUORKOD-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds5

About 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine

2-(bromomethyl)-1-(2-ethoxyethyl)piperidine (PubChem CID 80674315) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
PubChem CID80674315
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
SMILESCCOCCN1CCCCC1CBr
InChIInChI=1S/C10H20BrNO/c1-2-13-8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyDQYPPTSIUORKOD-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
2-(bromomethyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 116638388
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine?
The IUPAC name of 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine (CID 80674315) is 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine?
The canonical SMILES for 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine is CCOCCN1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine?
The InChIKey is DQYPPTSIUORKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-2-13-8-7-12-6-4-3-5-10(12)9-11/h10H,2-9H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine?
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2-ethoxyethyl)piperidine is sourced from PubChem (CID 80674315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).