5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine

C21H21FN4O — CID 90313143

IUPAC5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O/c22-18-11-14(5-6-17(18)19-12-26-21(23)13-25-19)16-3-1-2-4-20(16)27-15-7-9-24-10-8-15/h1-6,11-13,15,24H,7-10H2,(H2,23,26)
InChIKeySQYOTPDCHYQBOK-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.66
Rot. Bonds4

About 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine

5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine (PubChem CID 90313143) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine
PubChem CID90313143
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1
InChIInChI=1S/C21H21FN4O/c22-18-11-14(5-6-17(18)19-12-26-21(23)13-25-19)16-3-1-2-4-20(16)27-15-7-9-24-10-8-15/h1-6,11-13,15,24H,7-10H2,(H2,23,26)
InChIKeySQYOTPDCHYQBOK-UHFFFAOYSA-N
XLogP3.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine (CID 90313143) is 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3OC3CCNCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine?
The InChIKey is SQYOTPDCHYQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-11-14(5-6-17(18)19-12-26-21(23)13-25-19)16-3-1-2-4-20(16)27-15-7-9-24-10-8-15/h1-6,11-13,15,24H,7-10H2,(H2,23,26).
What are the key properties of 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine?
5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine has a molecular weight of 364.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-piperidin-4-yloxyphenyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 90313143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).