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

C13H17BrFNO — CID 86321567

IUPAC(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
SMILESFc1ccc(OCC[C@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C13H17BrFNO/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m1/s1
InChIKeyVKAGKRSEONFEMQ-LLVKDONJSA-N
MW302.19 g/mol
LogP3.50
Rot. Bonds4

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

(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine (PubChem CID 86321567) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
PubChem CID86321567
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
SMILESFc1ccc(OCC[C@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C13H17BrFNO/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m1/s1
InChIKeyVKAGKRSEONFEMQ-LLVKDONJSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218
3-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 56830445
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
CID 70109158
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
CID 56829706

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine?
The IUPAC name of (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine (CID 86321567) is (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine is Fc1ccc(OCC[C@H]2CCCCN2)c(Br)c1.
What is the InChIKey of (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine?
The InChIKey is VKAGKRSEONFEMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-12-9-10(15)4-5-13(12)17-8-6-11-3-1-2-7-16-11/h4-5,9,11,16H,1-3,6-8H2/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine?
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine has a molecular weight of 302.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 86321567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).