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

C22H23NO2S — CID 68996231

IUPAC(2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
SMILESc1ccc(-c2ccsc2)c(Oc2ccc(OC[C@@H]3CCCCN3)cc2)c1
InChIInChI=1S/C22H23NO2S/c1-2-7-22(21(6-1)17-12-14-26-16-17)25-20-10-8-19(9-11-20)24-15-18-5-3-4-13-23-18/h1-2,6-12,14,16,18,23H,3-5,13,15H2/t18-/m0/s1
InChIKeyNTYYWGMKMFGDKA-SFHVURJKSA-N
MW365.50 g/mol
LogP5.73
Rot. Bonds6

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

(2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine (PubChem CID 68996231) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
PubChem CID68996231
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine
SMILESc1ccc(-c2ccsc2)c(Oc2ccc(OC[C@@H]3CCCCN3)cc2)c1
InChIInChI=1S/C22H23NO2S/c1-2-7-22(21(6-1)17-12-14-26-16-17)25-20-10-8-19(9-11-20)24-15-18-5-3-4-13-23-18/h1-2,6-12,14,16,18,23H,3-5,13,15H2/t18-/m0/s1
InChIKeyNTYYWGMKMFGDKA-SFHVURJKSA-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

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Related Compounds

(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine (CID 68996231) is (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine is c1ccc(-c2ccsc2)c(Oc2ccc(OC[C@@H]3CCCCN3)cc2)c1.
What is the InChIKey of (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
The InChIKey is NTYYWGMKMFGDKA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-2-7-22(21(6-1)17-12-14-26-16-17)25-20-10-8-19(9-11-20)24-15-18-5-3-4-13-23-18/h1-2,6-12,14,16,18,23H,3-5,13,15H2/t18-/m0/s1.
What are the key properties of (2S)-2-[[4-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine?
(2S)-2-[[4-(2-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-(2-thiophen-3-ylphenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 68996231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).