[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride

C15H23Cl2F3N4O2 — CID 120800939

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride (PubChem CID 120800939) has the molecular formula C15H23Cl2F3N4O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
• PubChem CID: 120800939
• Molecular Formula: C15H23Cl2F3N4O2
• Molecular Weight: 419.28 g/mol
• Exact Mass: 418.12
• IUPAC Name: [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
• SMILES: Cl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)O1
• InChI: InChI=1S/C15H21F3N4O2.2ClH/c16-15(17,18)12-8-20-13(21-12)9-3-5-22(6-4-9)14(23)11-2-1-10(7-19)24-11;;/h8-11H,1-7,19H2,(H,20,21);2*1H/t10-,11+;;/m1../s1
• InChIKey: CVPUVNVXDXXRRG-OXPNAJOUSA-N
• XLogP: 2.48
• TPSA: 84.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.28
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride?

The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride (CID 120800939) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride?

The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)O1.

What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride?

The InChIKey is CVPUVNVXDXXRRG-OXPNAJOUSA-N. The full InChI is InChI=1S/C15H21F3N4O2.2ClH/c16-15(17,18)12-8-20-13(21-12)9-3-5-22(6-4-9)14(23)11-2-1-10(7-19)24-11;;/h8-11H,1-7,19H2,(H,20,21);2*1H/t10-,11+;;/m1../s1.

What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride?

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 419.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120800939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).