5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C19H27FN6 — CID 95873641

About 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 95873641) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

• Compound Name: 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
• PubChem CID: 95873641
• Molecular Formula: C19H27FN6
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.23
• IUPAC Name: 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
• SMILES: Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccc(F)cn2)C1
• InChI: InChI=1S/C19H27FN6/c1-24-18(14-25-9-3-2-4-10-25)22-23-19(24)15-6-5-11-26(13-15)17-8-7-16(20)12-21-17/h7-8,12,15H,2-6,9-11,13-14H2,1H3/t15-/m1/s1
• InChIKey: OVOKXEJEIJIJMR-OAHLLOKOSA-N
• XLogP: 2.72
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?

The IUPAC name of 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 95873641) is 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

What is the SMILES notation for 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?

The canonical SMILES for 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccc(F)cn2)C1.

What is the InChIKey of 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?

The InChIKey is OVOKXEJEIJIJMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN6/c1-24-18(14-25-9-3-2-4-10-25)22-23-19(24)15-6-5-11-26(13-15)17-8-7-16(20)12-21-17/h7-8,12,15H,2-6,9-11,13-14H2,1H3/t15-/m1/s1.

What are the key properties of 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?

5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 358.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 95873641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).