2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine

C20H25N3O2 — CID 95823058

IUPAC2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine
SMILESc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-4-18(5-3-1)25-20-19(21-10-11-22-20)16-6-12-23(13-7-16)17-8-14-24-15-9-17/h1-5,10-11,16-17H,6-9,12-15H2
InChIKeyKVEWKNNMXZRXGU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.63
Rot. Bonds4

About 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine

2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine (PubChem CID 95823058) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine
PubChem CID95823058
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine
SMILESc1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-4-18(5-3-1)25-20-19(21-10-11-22-20)16-6-12-23(13-7-16)17-8-14-24-15-9-17/h1-5,10-11,16-17H,6-9,12-15H2
InChIKeyKVEWKNNMXZRXGU-UHFFFAOYSA-N
XLogP3.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine?
The IUPAC name of 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine (CID 95823058) is 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine.
What is the SMILES notation for 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine?
The canonical SMILES for 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine is c1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine?
The InChIKey is KVEWKNNMXZRXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-4-18(5-3-1)25-20-19(21-10-11-22-20)16-6-12-23(13-7-16)17-8-14-24-15-9-17/h1-5,10-11,16-17H,6-9,12-15H2.
What are the key properties of 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine?
2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine has a molecular weight of 339.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine is sourced from PubChem (CID 95823058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).