3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine

C13H17ClFNO — CID 83050877

IUPAC3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
SMILESFc1cccc(Cl)c1OCCC1CCCNC1
InChIInChI=1S/C13H17ClFNO/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1,4-5,10,16H,2-3,6-9H2
InChIKeyMBWUHPLKUINPQK-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.25
Rot. Bonds4

About 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine

3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine (PubChem CID 83050877) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
PubChem CID83050877
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
SMILESFc1cccc(Cl)c1OCCC1CCCNC1
InChIInChI=1S/C13H17ClFNO/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1,4-5,10,16H,2-3,6-9H2
InChIKeyMBWUHPLKUINPQK-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
3-[2-(3-chloro-2-nitrophenoxy)ethyl]piperidine
CID 104839552
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine (CID 83050877) is 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine is Fc1cccc(Cl)c1OCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine?
The InChIKey is MBWUHPLKUINPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1,4-5,10,16H,2-3,6-9H2.
What are the key properties of 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine?
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine has a molecular weight of 257.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 83050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).