4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride

C12H14Cl2F3NO2 — CID 159278174

IUPAC4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)Oc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C12H13ClF3NO2.ClH/c13-8-1-2-10(11(7-8)19-12(14,15)16)18-9-3-5-17-6-4-9;/h1-2,7,9,17H,3-6H2;1H
InChIKeyKEDWYEITMYIIRJ-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.79
Rot. Bonds3

About 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride

4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride (PubChem CID 159278174) has the molecular formula C12H14Cl2F3NO2 and a molecular weight of 332.15 g/mol. Its IUPAC name is 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
PubChem CID159278174
Molecular FormulaC12H14Cl2F3NO2
Molecular Weight332.15 g/mol
Exact Mass331.04
IUPAC Name4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)Oc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C12H13ClF3NO2.ClH/c13-8-1-2-10(11(7-8)19-12(14,15)16)18-9-3-5-17-6-4-9;/h1-2,7,9,17H,3-6H2;1H
InChIKeyKEDWYEITMYIIRJ-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-(4-chloro-2-ethylphenoxy)piperidine
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CID 22397483
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122238069
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine
CID 67348330
4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
CID 118353819
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
4-(2-chloro-3-fluorophenoxy)piperidine
CID 154662449
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride?
The IUPAC name of 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride (CID 159278174) is 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride is Cl.FC(F)(F)Oc1cc(Cl)ccc1OC1CCNCC1.
What is the InChIKey of 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride?
The InChIKey is KEDWYEITMYIIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2.ClH/c13-8-1-2-10(11(7-8)19-12(14,15)16)18-9-3-5-17-6-4-9;/h1-2,7,9,17H,3-6H2;1H.
What are the key properties of 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride?
4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride has a molecular weight of 332.15 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride is sourced from PubChem (CID 159278174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).