2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine

C16H23NOS — CID 117444980

IUPAC2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(CC2CCCCN2)cc(OC2CCSC2)c1
InChIInChI=1S/C16H23NOS/c1-2-8-17-14(5-1)10-13-4-3-6-15(11-13)18-16-7-9-19-12-16/h3-4,6,11,14,16-17H,1-2,5,7-10,12H2
InChIKeyZFXZQMOZOLXTGC-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.26
Rot. Bonds4

About 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine

2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117444980) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117444980
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(CC2CCCCN2)cc(OC2CCSC2)c1
InChIInChI=1S/C16H23NOS/c1-2-8-17-14(5-1)10-13-4-3-6-15(11-13)18-16-7-9-19-12-16/h3-4,6,11,14,16-17H,1-2,5,7-10,12H2
InChIKeyZFXZQMOZOLXTGC-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(thian-4-yloxy)phenyl]methyl]pyrrolidine
CID 117444975
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
CID 117413830
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-(3-ethylphenoxy)piperidine
CID 91241218
5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
CID 143624917

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine (CID 117444980) is 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine is c1cc(CC2CCCCN2)cc(OC2CCSC2)c1.
What is the InChIKey of 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is ZFXZQMOZOLXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-8-17-14(5-1)10-13-4-3-6-15(11-13)18-16-7-9-19-12-16/h3-4,6,11,14,16-17H,1-2,5,7-10,12H2.
What are the key properties of 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 277.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117444980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).