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

C10H20BrNO — CID 106838203

IUPAC4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C10H20BrNO/c1-9(11)10-3-5-12(6-4-10)7-8-13-2/h9-10H,3-8H2,1-2H3
InChIKeyIFRUXAMVJDRIMC-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.13
Rot. Bonds4

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

4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine (PubChem CID 106838203) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
PubChem CID106838203
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C10H20BrNO/c1-9(11)10-3-5-12(6-4-10)7-8-13-2/h9-10H,3-8H2,1-2H3
InChIKeyIFRUXAMVJDRIMC-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.13
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-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
4-(1-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 106838250
4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
CID 107914062
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 115707229
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine (CID 106838203) is 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine is COCCN1CCC(C(C)Br)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine?
The InChIKey is IFRUXAMVJDRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-9(11)10-3-5-12(6-4-10)7-8-13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine?
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine has a molecular weight of 250.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 106838203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).