1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine

C14H17N3OS — CID 18186855

IUPAC1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine
SMILESc1cc(OCc2cccs2)nc(N2CCNCC2)c1
InChIInChI=1S/C14H17N3OS/c1-4-13(17-8-6-15-7-9-17)16-14(5-1)18-11-12-3-2-10-19-12/h1-5,10,15H,6-9,11H2
InChIKeyOVHUQEKUGULMIR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.13
Rot. Bonds4

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

1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine (PubChem CID 18186855) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine
PubChem CID18186855
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine
SMILESc1cc(OCc2cccs2)nc(N2CCNCC2)c1
InChIInChI=1S/C14H17N3OS/c1-4-13(17-8-6-15-7-9-17)16-14(5-1)18-11-12-3-2-10-19-12/h1-5,10,15H,6-9,11H2
InChIKeyOVHUQEKUGULMIR-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine (CID 18186855) is 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine is c1cc(OCc2cccs2)nc(N2CCNCC2)c1.
What is the InChIKey of 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine?
The InChIKey is OVHUQEKUGULMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-13(17-8-6-15-7-9-17)16-14(5-1)18-11-12-3-2-10-19-12/h1-5,10,15H,6-9,11H2.
What are the key properties of 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine?
1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine has a molecular weight of 275.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(thiophen-2-ylmethoxy)-2-pyridinyl]piperazine is sourced from PubChem (CID 18186855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).