4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride

C15H21ClF3NO2 — CID 164533496

IUPAC4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCCOC2CCNCC2)cc1
InChIInChI=1S/C15H20F3NO2.ClH/c16-15(17,18)12-2-4-13(5-3-12)20-10-1-11-21-14-6-8-19-9-7-14;/h2-5,14,19H,1,6-11H2;1H
InChIKeyKZELMNIEKXUNII-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.66
Rot. Bonds6

About 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride

4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride (PubChem CID 164533496) has the molecular formula C15H21ClF3NO2 and a molecular weight of 339.79 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
PubChem CID164533496
Molecular FormulaC15H21ClF3NO2
Molecular Weight339.79 g/mol
Exact Mass339.12
IUPAC Name4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCCOC2CCNCC2)cc1
InChIInChI=1S/C15H20F3NO2.ClH/c16-15(17,18)12-2-4-13(5-3-12)20-10-1-11-21-14-6-8-19-9-7-14;/h2-5,14,19H,1,6-11H2;1H
InChIKeyKZELMNIEKXUNII-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
CID 86775442
4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
CID 28803106
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
CID 66593025
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
CID 115511910
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride (CID 164533496) is 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride is Cl.FC(F)(F)c1ccc(OCCCOC2CCNCC2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride?
The InChIKey is KZELMNIEKXUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2.ClH/c16-15(17,18)12-2-4-13(5-3-12)20-10-1-11-21-14-6-8-19-9-7-14;/h2-5,14,19H,1,6-11H2;1H.
What are the key properties of 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride?
4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride has a molecular weight of 339.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride is sourced from PubChem (CID 164533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).