1-(2-bromoethyl)-4-ethoxypiperidine

C9H18BrNO — CID 61288374

IUPAC1-(2-bromoethyl)-4-ethoxypiperidine
SMILESCCOC1CCN(CCBr)CC1
InChIInChI=1S/C9H18BrNO/c1-2-12-9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3
InChIKeySDGWOWRVVIOFRH-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-bromoethyl)-4-ethoxypiperidine

1-(2-bromoethyl)-4-ethoxypiperidine (PubChem CID 61288374) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-ethoxypiperidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-ethoxypiperidine
PubChem CID61288374
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-(2-bromoethyl)-4-ethoxypiperidine
SMILESCCOC1CCN(CCBr)CC1
InChIInChI=1S/C9H18BrNO/c1-2-12-9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3
InChIKeySDGWOWRVVIOFRH-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
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

1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
ethane;4-propoxy-1-propylpiperidine
CID 156867917
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
[1-[2-(4-ethoxypiperidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81169483
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-ethoxypiperidine?
The IUPAC name of 1-(2-bromoethyl)-4-ethoxypiperidine (CID 61288374) is 1-(2-bromoethyl)-4-ethoxypiperidine.
What is the SMILES notation for 1-(2-bromoethyl)-4-ethoxypiperidine?
The canonical SMILES for 1-(2-bromoethyl)-4-ethoxypiperidine is CCOC1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-ethoxypiperidine?
The InChIKey is SDGWOWRVVIOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-2-12-9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-ethoxypiperidine?
1-(2-bromoethyl)-4-ethoxypiperidine has a molecular weight of 236.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-ethoxypiperidine is sourced from PubChem (CID 61288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).