1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine

C16H24F3N5 — CID 71227298

About 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine

1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (PubChem CID 71227298) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
• PubChem CID: 71227298
• Molecular Formula: C16H24F3N5
• Molecular Weight: 343.40 g/mol
• Exact Mass: 343.20
• IUPAC Name: 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
• SMILES: NC1CCCCC1(N)C1CCCN(c2cnc(C(F)(F)F)cn2)C1
• InChI: InChI=1S/C16H24F3N5/c17-16(18,19)13-8-23-14(9-22-13)24-7-3-4-11(10-24)15(21)6-2-1-5-12(15)20/h8-9,11-12H,1-7,10,20-21H2
• InChIKey: QVFZIIRXOGAVIL-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 81.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.40
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?

The IUPAC name of 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine (CID 71227298) is 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine.

What is the SMILES notation for 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?

The canonical SMILES for 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is NC1CCCCC1(N)C1CCCN(c2cnc(C(F)(F)F)cn2)C1.

What is the InChIKey of 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?

The InChIKey is QVFZIIRXOGAVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5/c17-16(18,19)13-8-23-14(9-22-13)24-7-3-4-11(10-24)15(21)6-2-1-5-12(15)20/h8-9,11-12H,1-7,10,20-21H2.

What are the key properties of 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine?

1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine has a molecular weight of 343.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71227298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).