4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine

C13H15ClF3NO — CID 158221465

IUPAC4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESFC(F)(F)c1ccc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c14-11-7-10(13(15,16)17)1-2-12(11)19-8-9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2
InChIKeyGIONUXQREZGILN-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.74
Rot. Bonds3

About 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine

4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine (PubChem CID 158221465) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
PubChem CID158221465
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESFC(F)(F)c1ccc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c14-11-7-10(13(15,16)17)1-2-12(11)19-8-9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2
InChIKeyGIONUXQREZGILN-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine?
The IUPAC name of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine (CID 158221465) is 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine?
The canonical SMILES for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine is FC(F)(F)c1ccc(OCC2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine?
The InChIKey is GIONUXQREZGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-11-7-10(13(15,16)17)1-2-12(11)19-8-9-3-5-18-6-4-9/h1-2,7,9,18H,3-6,8H2.
What are the key properties of 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine?
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine has a molecular weight of 293.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 158221465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).