3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine

C13H17BrFNO — CID 56830459

IUPAC3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
SMILESFc1cc(Br)ccc1OCCC1CCCNC1
InChIInChI=1S/C13H17BrFNO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2
InChIKeyHVEJOURRRNPSNX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine

3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine (PubChem CID 56830459) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
PubChem CID56830459
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
SMILESFc1cc(Br)ccc1OCCC1CCCNC1
InChIInChI=1S/C13H17BrFNO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2
InChIKeyHVEJOURRRNPSNX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 56830445
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 102714818
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
(3S)-3-[2-(3-bromo-2-methylphenoxy)ethyl]piperidine
CID 170321208
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine (CID 56830459) is 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine is Fc1cc(Br)ccc1OCCC1CCCNC1.
What is the InChIKey of 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine?
The InChIKey is HVEJOURRRNPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-11-3-4-13(12(15)8-11)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2.
What are the key properties of 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine?
3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine has a molecular weight of 302.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 56830459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).