4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride

C12H15ClF3NO — CID 17178004

IUPAC4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9;/h1-4,9,16H,5-8H2;1H
InChIKeyFIPQGQLTGWTZQZ-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.26
Rot. Bonds2

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

4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride (PubChem CID 17178004) has the molecular formula C12H15ClF3NO and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride
PubChem CID17178004
Molecular FormulaC12H15ClF3NO
Molecular Weight281.70 g/mol
Exact Mass281.08
IUPAC Name4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9;/h1-4,9,16H,5-8H2;1H
InChIKeyFIPQGQLTGWTZQZ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride (CID 17178004) is 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride is Cl.FC(F)(F)c1ccccc1OC1CCNCC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride?
The InChIKey is FIPQGQLTGWTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9;/h1-4,9,16H,5-8H2;1H.
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride?
4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride has a molecular weight of 281.70 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenoxy]piperidine;hydrochloride is sourced from PubChem (CID 17178004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).