2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine

C10H19BrFN — CID 81113439

IUPAC2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCCCC1CCBr
InChIInChI=1S/C10H19BrFN/c11-6-5-10-4-1-2-8-13(10)9-3-7-12/h10H,1-9H2
InChIKeyPTNDGYHJWLVIHJ-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine

2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine (PubChem CID 81113439) has the molecular formula C10H19BrFN and a molecular weight of 252.17 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine
PubChem CID81113439
Molecular FormulaC10H19BrFN
Molecular Weight252.17 g/mol
Exact Mass251.07
IUPAC Name2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCCCC1CCBr
InChIInChI=1S/C10H19BrFN/c11-6-5-10-4-1-2-8-13(10)9-3-7-12/h10H,1-9H2
InChIKeyPTNDGYHJWLVIHJ-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-fluoropropyl)piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine (CID 81113439) is 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine is FCCCN1CCCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine?
The InChIKey is PTNDGYHJWLVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrFN/c11-6-5-10-4-1-2-8-13(10)9-3-7-12/h10H,1-9H2.
What are the key properties of 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine?
2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine has a molecular weight of 252.17 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(3-fluoropropyl)piperidine is sourced from PubChem (CID 81113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).