2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine

C14H21NOS — CID 116871111

IUPAC2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
SMILESCc1ccsc1C1(CC2CCCCN2)COC1
InChIInChI=1S/C14H21NOS/c1-11-5-7-17-13(11)14(9-16-10-14)8-12-4-2-3-6-15-12/h5,7,12,15H,2-4,6,8-10H2,1H3
InChIKeyCQXIWGOYSJXVNN-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.86
Rot. Bonds3

About 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine

2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine (PubChem CID 116871111) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
PubChem CID116871111
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
SMILESCc1ccsc1C1(CC2CCCCN2)COC1
InChIInChI=1S/C14H21NOS/c1-11-5-7-17-13(11)14(9-16-10-14)8-12-4-2-3-6-15-12/h5,7,12,15H,2-4,6,8-10H2,1H3
InChIKeyCQXIWGOYSJXVNN-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
CID 116870952
2-[[3-(4-methylsulfanylphenyl)oxetan-3-yl]methyl]pyrrolidine
CID 116871041
2-[(3-cyclobutyloxetan-3-yl)methyl]piperidine
CID 116871110
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
CID 71638047
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]piperidine
CID 117417353

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine?
The IUPAC name of 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine (CID 116871111) is 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine.
What is the SMILES notation for 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine?
The canonical SMILES for 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine is Cc1ccsc1C1(CC2CCCCN2)COC1.
What is the InChIKey of 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine?
The InChIKey is CQXIWGOYSJXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-5-7-17-13(11)14(9-16-10-14)8-12-4-2-3-6-15-12/h5,7,12,15H,2-4,6,8-10H2,1H3.
What are the key properties of 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine?
2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine has a molecular weight of 251.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine is sourced from PubChem (CID 116871111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).