[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine

C26H32N4O — CID 155194236

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESCC(C)c1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H32N4O/c1-18(2)21-7-9-23(10-8-21)26-25(22-5-3-19(15-27)4-6-22)29-16-24(30-26)31-17-20-11-13-28-14-12-20/h3-10,16,18,20,28H,11-15,17,27H2,1-2H3
InChIKeyFDJRDZGYTGWGAA-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.77
Rot. Bonds7

About [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine

[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194236) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine
PubChem CID155194236
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESCC(C)c1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H32N4O/c1-18(2)21-7-9-23(10-8-21)26-25(22-5-3-19(15-27)4-6-22)29-16-24(30-26)31-17-20-11-13-28-14-12-20/h3-10,16,18,20,28H,11-15,17,27H2,1-2H3
InChIKeyFDJRDZGYTGWGAA-UHFFFAOYSA-N
XLogP4.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine (CID 155194236) is [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine is CC(C)c1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is FDJRDZGYTGWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18(2)21-7-9-23(10-8-21)26-25(22-5-3-19(15-27)4-6-22)29-16-24(30-26)31-17-20-11-13-28-14-12-20/h3-10,16,18,20,28H,11-15,17,27H2,1-2H3.
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 416.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-(4-propan-2-ylphenyl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).