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

C17H25NO2S — CID 117492500

IUPAC2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cccc1OC1CCSC1
InChIInChI=1S/C17H25NO2S/c1-19-17-13(11-14-6-2-3-9-18-14)5-4-7-16(17)20-15-8-10-21-12-15/h4-5,7,14-15,18H,2-3,6,8-12H2,1H3
InChIKeyQTZGXXZDRNTDBZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.26
Rot. Bonds5

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

2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117492500) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117492500
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cccc1OC1CCSC1
InChIInChI=1S/C17H25NO2S/c1-19-17-13(11-14-6-2-3-9-18-14)5-4-7-16(17)20-15-8-10-21-12-15/h4-5,7,14-15,18H,2-3,6,8-12H2,1H3
InChIKeyQTZGXXZDRNTDBZ-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444980
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
O-[[2-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426921
4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117477685
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-[2-methoxy-3-(thian-4-yloxy)phenyl]acetonitrile
CID 117413381
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
(E)-3-[2-methoxy-3-(thiolan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117418040

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine (CID 117492500) is 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine is COc1c(CC2CCCCN2)cccc1OC1CCSC1.
What is the InChIKey of 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is QTZGXXZDRNTDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-19-17-13(11-14-6-2-3-9-18-14)5-4-7-16(17)20-15-8-10-21-12-15/h4-5,7,14-15,18H,2-3,6,8-12H2,1H3.
What are the key properties of 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine?
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 307.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).