[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine

C28H33N5O — CID 155194554

About [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine

[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194554) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
• PubChem CID: 155194554
• Molecular Formula: C28H33N5O
• Molecular Weight: 455.61 g/mol
• Exact Mass: 455.27
• IUPAC Name: [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
• SMILES: NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3=CCNCC3)cc2)cc1
• InChI: InChI=1S/C28H33N5O/c29-17-20-1-3-24(4-2-20)27-28(25-7-5-22(6-8-25)23-11-15-31-16-12-23)33-26(18-32-27)34-19-21-9-13-30-14-10-21/h1-8,11,18,21,30-31H,9-10,12-17,19,29H2
• InChIKey: ADXRRPMDAOXYRV-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 85.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.61
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?

The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (CID 155194554) is [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.

What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?

The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3=CCNCC3)cc2)cc1.

What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?

The InChIKey is ADXRRPMDAOXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c29-17-20-1-3-24(4-2-20)27-28(25-7-5-22(6-8-25)23-11-15-31-16-12-23)33-26(18-32-27)34-19-21-9-13-30-14-10-21/h1-8,11,18,21,30-31H,9-10,12-17,19,29H2.

What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?

[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine has a molecular weight of 455.61 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).