1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine

C18H19N3OS — CID 10131349

IUPAC1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine
SMILESc1cc(OCc2csc3ccccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-5-16-15(4-1)14(13-23-16)12-22-18-7-3-6-17(20-18)21-10-8-19-9-11-21/h1-7,13,19H,8-12H2
InChIKeyFRVHBQNADOKLAU-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine

1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine (PubChem CID 10131349) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine
PubChem CID10131349
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine
SMILESc1cc(OCc2csc3ccccc23)nc(N2CCNCC2)c1
InChIInChI=1S/C18H19N3OS/c1-2-5-16-15(4-1)14(13-23-16)12-22-18-7-3-6-17(20-18)21-10-8-19-9-11-21/h1-7,13,19H,8-12H2
InChIKeyFRVHBQNADOKLAU-UHFFFAOYSA-N
XLogP3.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine (CID 10131349) is 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine is c1cc(OCc2csc3ccccc23)nc(N2CCNCC2)c1.
What is the InChIKey of 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine?
The InChIKey is FRVHBQNADOKLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-5-16-15(4-1)14(13-23-16)12-22-18-7-3-6-17(20-18)21-10-8-19-9-11-21/h1-7,13,19H,8-12H2.
What are the key properties of 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine?
1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine has a molecular weight of 325.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-benzothiophen-3-ylmethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 10131349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).