2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine

C17H21N3O — CID 95845210

IUPAC2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine
SMILESc1ccc(OCCN2CCC(c3cnccn3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-2-4-16(5-3-1)21-13-12-20-10-6-15(7-11-20)17-14-18-8-9-19-17/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyIPCSCSIODCCYOH-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine

2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine (PubChem CID 95845210) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine
PubChem CID95845210
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine
SMILESc1ccc(OCCN2CCC(c3cnccn3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-2-4-16(5-3-1)21-13-12-20-10-6-15(7-11-20)17-14-18-8-9-19-17/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyIPCSCSIODCCYOH-UHFFFAOYSA-N
XLogP2.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine?
The IUPAC name of 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine (CID 95845210) is 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine?
The canonical SMILES for 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine is c1ccc(OCCN2CCC(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine?
The InChIKey is IPCSCSIODCCYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-4-16(5-3-1)21-13-12-20-10-6-15(7-11-20)17-14-18-8-9-19-17/h1-5,8-9,14-15H,6-7,10-13H2.
What are the key properties of 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine?
2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine has a molecular weight of 283.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazine is sourced from PubChem (CID 95845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).