2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine

C11H20BrNO — CID 80671573

IUPAC2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
SMILESBrCCC1CCCCN1C1CCOC1
InChIInChI=1S/C11H20BrNO/c12-6-4-10-3-1-2-7-13(10)11-5-8-14-9-11/h10-11H,1-9H2
InChIKeyABZPRCFTCVWXQL-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine

2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine (PubChem CID 80671573) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
PubChem CID80671573
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
SMILESBrCCC1CCCCN1C1CCOC1
InChIInChI=1S/C11H20BrNO/c12-6-4-10-3-1-2-7-13(10)11-5-8-14-9-11/h10-11H,1-9H2
InChIKeyABZPRCFTCVWXQL-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine (CID 80671573) is 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine is BrCCC1CCCCN1C1CCOC1.
What is the InChIKey of 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine?
The InChIKey is ABZPRCFTCVWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c12-6-4-10-3-1-2-7-13(10)11-5-8-14-9-11/h10-11H,1-9H2.
What are the key properties of 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine?
2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine has a molecular weight of 262.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine is sourced from PubChem (CID 80671573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).