3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride

C13H18Cl2FNO — CID 56830076

IUPAC3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(OCCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H17ClFNO.ClH/c14-12-8-11(15)3-4-13(12)17-7-5-10-2-1-6-16-9-10;/h3-4,8,10,16H,1-2,5-7,9H2;1H
InChIKeyARGUJCGLPLWYPF-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride

3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830076) has the molecular formula C13H18Cl2FNO and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
PubChem CID56830076
Molecular FormulaC13H18Cl2FNO
Molecular Weight294.20 g/mol
Exact Mass293.07
IUPAC Name3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(OCCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H17ClFNO.ClH/c14-12-8-11(15)3-4-13(12)17-7-5-10-2-1-6-16-9-10;/h3-4,8,10,16H,1-2,5-7,9H2;1H
InChIKeyARGUJCGLPLWYPF-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 56830445
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
CID 56830459
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
CID 120966667
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845
3-[2-(3-chloro-2-nitrophenoxy)ethyl]piperidine
CID 104839552

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride (CID 56830076) is 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride is Cl.Fc1ccc(OCCC2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is ARGUJCGLPLWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO.ClH/c14-12-8-11(15)3-4-13(12)17-7-5-10-2-1-6-16-9-10;/h3-4,8,10,16H,1-2,5-7,9H2;1H.
What are the key properties of 3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride?
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 294.20 g/mol, XLogP of 3.67, 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-4-fluorophenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).