3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine

C15H21NOS — CID 102954247

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine
SMILESCC1CCNCC1OCC1Cc2ccccc2S1
InChIInChI=1S/C15H21NOS/c1-11-6-7-16-9-14(11)17-10-13-8-12-4-2-3-5-15(12)18-13/h2-5,11,13-14,16H,6-10H2,1H3
InChIKeyMQYDPYKLOAMLMC-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.72
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine

3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine (PubChem CID 102954247) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine
PubChem CID102954247
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine
SMILESCC1CCNCC1OCC1Cc2ccccc2S1
InChIInChI=1S/C15H21NOS/c1-11-6-7-16-9-14(11)17-10-13-8-12-4-2-3-5-15(12)18-13/h2-5,11,13-14,16H,6-10H2,1H3
InChIKeyMQYDPYKLOAMLMC-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-phenylmethoxypiperidine
CID 102954119
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 113440439
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79408103
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
4-methyl-3-(3-phenoxypropoxy)piperidine
CID 102954189
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
CID 79224036
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
CID 79228637
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine (CID 102954247) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine is CC1CCNCC1OCC1Cc2ccccc2S1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine?
The InChIKey is MQYDPYKLOAMLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-6-7-16-9-14(11)17-10-13-8-12-4-2-3-5-15(12)18-13/h2-5,11,13-14,16H,6-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine has a molecular weight of 263.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine is sourced from PubChem (CID 102954247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).