2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine

C15H21NOS — CID 79221195

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
SMILESc1ccc2c(c1)SCC2COCC1CCCCN1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-17-10-13-5-3-4-8-16-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeySCIKCWIEWSPWJY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.03
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine

2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine (PubChem CID 79221195) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
PubChem CID79221195
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
SMILESc1ccc2c(c1)SCC2COCC1CCCCN1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-17-10-13-5-3-4-8-16-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeySCIKCWIEWSPWJY-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618055
(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine
CID 79221419
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-one
CID 104679555
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
(2R)-2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 178102485
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine (CID 79221195) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine is c1ccc2c(c1)SCC2COCC1CCCCN1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine?
The InChIKey is SCIKCWIEWSPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-17-10-13-5-3-4-8-16-13/h1-2,6-7,12-13,16H,3-5,8-11H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine has a molecular weight of 263.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine is sourced from PubChem (CID 79221195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).