[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine

C22H25N5O — CID 155194392

IUPAC[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccncc2)cc1
InChIInChI=1S/C22H25N5O/c23-13-16-1-3-18(4-2-16)22-21(19-7-11-25-12-8-19)26-14-20(27-22)28-15-17-5-9-24-10-6-17/h1-4,7-8,11-12,14,17,24H,5-6,9-10,13,15,23H2
InChIKeyAODPMHPZVGASKS-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.04
Rot. Bonds6

About [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine

[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine (PubChem CID 155194392) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
PubChem CID155194392
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccncc2)cc1
InChIInChI=1S/C22H25N5O/c23-13-16-1-3-18(4-2-16)22-21(19-7-11-25-12-8-19)26-14-20(27-22)28-15-17-5-9-24-10-6-17/h1-4,7-8,11-12,14,17,24H,5-6,9-10,13,15,23H2
InChIKeyAODPMHPZVGASKS-UHFFFAOYSA-N
XLogP3.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine (CID 155194392) is [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccncc2)cc1.
What is the InChIKey of [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
The InChIKey is AODPMHPZVGASKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-13-16-1-3-18(4-2-16)22-21(19-7-11-25-12-8-19)26-14-20(27-22)28-15-17-5-9-24-10-6-17/h1-4,7-8,11-12,14,17,24H,5-6,9-10,13,15,23H2.
What are the key properties of [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine?
[4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine has a molecular weight of 375.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).