1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine

C15H21NOS — CID 79319858

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
SMILESCOC1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H21NOS/c1-17-13-6-8-16(9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3
InChIKeyFYKGHFMRDWFRQY-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.99
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine (PubChem CID 79319858) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
PubChem CID79319858
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
SMILESCOC1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H21NOS/c1-17-13-6-8-16(9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3
InChIKeyFYKGHFMRDWFRQY-UHFFFAOYSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylsulfanylazepane
CID 114237826
(3R)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-ol
CID 79221764
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 79318724
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
CID 79315327
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 79221106
3-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-4-yl]propanoic acid
CID 79215688
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazepane
CID 80666638
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 113402624
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine (CID 79319858) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine is COC1CCN(CC2CSc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine?
The InChIKey is FYKGHFMRDWFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-17-13-6-8-16(9-7-13)10-12-11-18-15-5-3-2-4-14(12)15/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine has a molecular weight of 263.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine is sourced from PubChem (CID 79319858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).