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

C15H19NS — CID 116987465

IUPAC3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine
SMILESCc1sc2ccccc2c1CC1CCCNC1
InChIInChI=1S/C15H19NS/c1-11-14(9-12-5-4-8-16-10-12)13-6-2-3-7-15(13)17-11/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyJXOYYDGHOWCAAY-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.75
Rot. Bonds2

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

3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine (PubChem CID 116987465) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine
PubChem CID116987465
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine
SMILESCc1sc2ccccc2c1CC1CCCNC1
InChIInChI=1S/C15H19NS/c1-11-14(9-12-5-4-8-16-10-12)13-6-2-3-7-15(13)17-11/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyJXOYYDGHOWCAAY-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97164498
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(2,3-dichlorophenyl)methyl]piperidine
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3-[(3-methylphenyl)methyl]piperidine
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CID 84636243

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The IUPAC name of 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine (CID 116987465) is 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine is Cc1sc2ccccc2c1CC1CCCNC1.
What is the InChIKey of 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine?
The InChIKey is JXOYYDGHOWCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-14(9-12-5-4-8-16-10-12)13-6-2-3-7-15(13)17-11/h2-3,6-7,12,16H,4-5,8-10H2,1H3.
What are the key properties of 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine?
3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine has a molecular weight of 245.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidine is sourced from PubChem (CID 116987465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).