(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine

C22H23NO2S — CID 46888240

IUPAC(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
SMILESc1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1
InChIInChI=1S/C22H23NO2S/c1-2-13-23-19(3-1)15-24-20-8-10-22(11-9-20)25-21-6-4-17(5-7-21)18-12-14-26-16-18/h4-12,14,16,19,23H,1-3,13,15H2/t19-/m0/s1
InChIKeyGLLLFAXFNZDBAF-IBGZPJMESA-N
MW365.50 g/mol
LogP5.73
Rot. Bonds6

About (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine

(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine (PubChem CID 46888240) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
PubChem CID46888240
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
SMILESc1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1
InChIInChI=1S/C22H23NO2S/c1-2-13-23-19(3-1)15-24-20-8-10-22(11-9-20)25-21-6-4-17(5-7-21)18-12-14-26-16-18/h4-12,14,16,19,23H,1-3,13,15H2/t19-/m0/s1
InChIKeyGLLLFAXFNZDBAF-IBGZPJMESA-N
XLogP5.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-((4-(biphenyl-4-yloxy)phenoxy)methyl)piperidine
CID 46888102
(S)-2-((4-(biphenyl-4-yloxy)phenoxy)methyl)piperidine
CID 46888103
(R)-4-(2-((4-(4-(thiophen-3-yl)benzyl)phenoxy)methyl)piperidin-1-yl)butanoic acid
CID 46888241
1-[2-[4-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine
CID 44202273
(R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyrrolidine
CID 44818806
(S)-2-((4-(4-(thiophen-2-yl)benzyl)phenoxy)methyl)piperidine
CID 46888192
(S)-2-((4-(4-(thiophen-3-yl)benzyl)phenoxy)methyl)piperidine
CID 46888239
1-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methylphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxamide
CID 49786320
1-[3-(4-Thiophen-2-ylphenoxy)propyl]piperidine
CID 56668427
Teniloxazine
CID 119114
1-[2-[4-[2-(3-Thienyl)benzothiophen-3-yl]phenoxy]ethyl]piperidine
CID 44202259
1-[2-[4-(2-Phenyl-1-benzothiophen-3-yl)phenoxy]ethyl]piperidine
CID 44202265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine (CID 46888240) is (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine is c1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1.
What is the InChIKey of (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The InChIKey is GLLLFAXFNZDBAF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23NO2S/c1-2-13-23-19(3-1)15-24-20-8-10-22(11-9-20)25-21-6-4-17(5-7-21)18-12-14-26-16-18/h4-12,14,16,19,23H,1-3,13,15H2/t19-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
(2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine has a molecular weight of 365.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 46888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).