2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine

C15H21NS — CID 117372167

IUPAC2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
SMILESCC1Cc2ccc(CC3CCCCN3)cc2S1
InChIInChI=1S/C15H21NS/c1-11-8-13-6-5-12(10-15(13)17-11)9-14-4-2-3-7-16-14/h5-6,10-11,14,16H,2-4,7-9H2,1H3
InChIKeyQHQZJZDHAUIFFB-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.41
Rot. Bonds2

About 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine

2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine (PubChem CID 117372167) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
PubChem CID117372167
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
SMILESCC1Cc2ccc(CC3CCCCN3)cc2S1
InChIInChI=1S/C15H21NS/c1-11-8-13-6-5-12(10-15(13)17-11)9-14-4-2-3-7-16-14/h5-6,10-11,14,16H,2-4,7-9H2,1H3
InChIKeyQHQZJZDHAUIFFB-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
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1-methyl-6-(piperidin-2-ylmethyl)-3,4-dihydroquinolin-2-one
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2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
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CID 117447160

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine?
The IUPAC name of 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine (CID 117372167) is 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine?
The canonical SMILES for 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine is CC1Cc2ccc(CC3CCCCN3)cc2S1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine?
The InChIKey is QHQZJZDHAUIFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-11-8-13-6-5-12(10-15(13)17-11)9-14-4-2-3-7-16-14/h5-6,10-11,14,16H,2-4,7-9H2,1H3.
What are the key properties of 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine?
2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine has a molecular weight of 247.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine is sourced from PubChem (CID 117372167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).