4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine

C10H19BrFNO — CID 82691461

IUPAC4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCC(OCCBr)CC1
InChIInChI=1S/C10H19BrFNO/c11-4-9-14-10-2-7-13(8-3-10)6-1-5-12/h10H,1-9H2
InChIKeyYMPWKJZUWWJZLF-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.22
Rot. Bonds6

About 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine

4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine (PubChem CID 82691461) has the molecular formula C10H19BrFNO and a molecular weight of 268.17 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
PubChem CID82691461
Molecular FormulaC10H19BrFNO
Molecular Weight268.17 g/mol
Exact Mass267.06
IUPAC Name4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCC(OCCBr)CC1
InChIInChI=1S/C10H19BrFNO/c11-4-9-14-10-2-7-13(8-3-10)6-1-5-12/h10H,1-9H2
InChIKeyYMPWKJZUWWJZLF-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.22
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 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine (CID 82691461) is 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine is FCCCN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine?
The InChIKey is YMPWKJZUWWJZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrFNO/c11-4-9-14-10-2-7-13(8-3-10)6-1-5-12/h10H,1-9H2.
What are the key properties of 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine?
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine has a molecular weight of 268.17 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine is sourced from PubChem (CID 82691461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).