(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine

C14H18F3NO2 — CID 69002528

IUPAC(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
SMILESFC(F)(F)Oc1ccc(OCC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-13-6-4-12(5-7-13)19-10-8-11-3-1-2-9-18-11/h4-7,11,18H,1-3,8-10H2/t11-/m0/s1
InChIKeyVZHDVQFOBYEHAS-NSHDSACASA-N
MW289.30 g/mol
LogP3.50
Rot. Bonds5

About (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine

(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine (PubChem CID 69002528) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
PubChem CID69002528
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
SMILESFC(F)(F)Oc1ccc(OCC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)20-13-6-4-12(5-7-13)19-10-8-11-3-1-2-9-18-11/h4-7,11,18H,1-3,8-10H2/t11-/m0/s1
InChIKeyVZHDVQFOBYEHAS-NSHDSACASA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
CID 90909757
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
CID 70109158
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The IUPAC name of (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine (CID 69002528) is (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine is FC(F)(F)Oc1ccc(OCC[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
The InChIKey is VZHDVQFOBYEHAS-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)20-13-6-4-12(5-7-13)19-10-8-11-3-1-2-9-18-11/h4-7,11,18H,1-3,8-10H2/t11-/m0/s1.
What are the key properties of (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine?
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine has a molecular weight of 289.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine is sourced from PubChem (CID 69002528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).