2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine

C14H16ClN3OS — CID 136537510

IUPAC2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESClc1ccc(CN2CCC(Oc3cnccn3)CC2)s1
InChIInChI=1S/C14H16ClN3OS/c15-13-2-1-12(20-13)10-18-7-3-11(4-8-18)19-14-9-16-5-6-17-14/h1-2,5-6,9,11H,3-4,7-8,10H2
InChIKeyRVHRPESOKSXYBG-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.23
Rot. Bonds4

About 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine

2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine (PubChem CID 136537510) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine
PubChem CID136537510
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESClc1ccc(CN2CCC(Oc3cnccn3)CC2)s1
InChIInChI=1S/C14H16ClN3OS/c15-13-2-1-12(20-13)10-18-7-3-11(4-8-18)19-14-9-16-5-6-17-14/h1-2,5-6,9,11H,3-4,7-8,10H2
InChIKeyRVHRPESOKSXYBG-UHFFFAOYSA-N
XLogP3.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine (CID 136537510) is 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine is Clc1ccc(CN2CCC(Oc3cnccn3)CC2)s1.
What is the InChIKey of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine?
The InChIKey is RVHRPESOKSXYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-13-2-1-12(20-13)10-18-7-3-11(4-8-18)19-14-9-16-5-6-17-14/h1-2,5-6,9,11H,3-4,7-8,10H2.
What are the key properties of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine?
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine has a molecular weight of 309.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 136537510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).