2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine

C15H19NOS — CID 117408519

IUPAC2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c2ccsc12
InChIInChI=1S/C15H19NOS/c1-17-14-6-5-11(13-7-9-18-15(13)14)10-12-4-2-3-8-16-12/h5-7,9,12,16H,2-4,8,10H2,1H3
InChIKeyDQVUYSWNUMIZAY-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.59
Rot. Bonds3

About 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine

2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine (PubChem CID 117408519) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
PubChem CID117408519
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c2ccsc12
InChIInChI=1S/C15H19NOS/c1-17-14-6-5-11(13-7-9-18-15(13)14)10-12-4-2-3-8-16-12/h5-7,9,12,16H,2-4,8,10H2,1H3
InChIKeyDQVUYSWNUMIZAY-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
CID 117464172

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine?
The IUPAC name of 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine (CID 117408519) is 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine?
The canonical SMILES for 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine is COc1ccc(CC2CCCCN2)c2ccsc12.
What is the InChIKey of 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine?
The InChIKey is DQVUYSWNUMIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-17-14-6-5-11(13-7-9-18-15(13)14)10-12-4-2-3-8-16-12/h5-7,9,12,16H,2-4,8,10H2,1H3.
What are the key properties of 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine?
2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine has a molecular weight of 261.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine is sourced from PubChem (CID 117408519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).