(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine

C18H20FNO2 — CID 46888145

IUPAC(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine
SMILESFc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
InChIKeySHFDEFVZLYQBBC-HNNXBMFYSA-N
MW301.36 g/mol
LogP4.14
Rot. Bonds5

About (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine

(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine (PubChem CID 46888145) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine
PubChem CID46888145
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine
SMILESFc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
InChIKeySHFDEFVZLYQBBC-HNNXBMFYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine (CID 46888145) is (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine is Fc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1.
What is the InChIKey of (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine?
The InChIKey is SHFDEFVZLYQBBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine?
(2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine has a molecular weight of 301.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-fluorophenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 46888145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).