(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine

C17H18F3NOS — CID 67771115

IUPAC(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESFC(F)(F)c1cccc(OC[C@@H]2CNCC[C@H]2c2ccsc2)c1
InChIInChI=1S/C17H18F3NOS/c18-17(19,20)14-2-1-3-15(8-14)22-10-13-9-21-6-4-16(13)12-5-7-23-11-12/h1-3,5,7-8,11,13,16,21H,4,6,9-10H2/t13-,16-/m0/s1
InChIKeyWUKWANCSZCCYNV-BBRMVZONSA-N
MW341.40 g/mol
LogP4.54
Rot. Bonds4

About (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine

(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine (PubChem CID 67771115) has the molecular formula C17H18F3NOS and a molecular weight of 341.40 g/mol. Its IUPAC name is (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
PubChem CID67771115
Molecular FormulaC17H18F3NOS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine
SMILESFC(F)(F)c1cccc(OC[C@@H]2CNCC[C@H]2c2ccsc2)c1
InChIInChI=1S/C17H18F3NOS/c18-17(19,20)14-2-1-3-15(8-14)22-10-13-9-21-6-4-16(13)12-5-7-23-11-12/h1-3,5,7-8,11,13,16,21H,4,6,9-10H2/t13-,16-/m0/s1
InChIKeyWUKWANCSZCCYNV-BBRMVZONSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The IUPAC name of (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine (CID 67771115) is (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine.
What is the SMILES notation for (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The canonical SMILES for (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine is FC(F)(F)c1cccc(OC[C@@H]2CNCC[C@H]2c2ccsc2)c1.
What is the InChIKey of (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
The InChIKey is WUKWANCSZCCYNV-BBRMVZONSA-N. The full InChI is InChI=1S/C17H18F3NOS/c18-17(19,20)14-2-1-3-15(8-14)22-10-13-9-21-6-4-16(13)12-5-7-23-11-12/h1-3,5,7-8,11,13,16,21H,4,6,9-10H2/t13-,16-/m0/s1.
What are the key properties of (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine?
(3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine has a molecular weight of 341.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-thiophen-3-yl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 67771115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).