ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate

C73H124F15N13O8 — CID 158353787

About ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate

ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate (PubChem CID 158353787) has the molecular formula C73H124F15N13O8 and a molecular weight of 1596.85 g/mol. Its IUPAC name is ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
• PubChem CID: 158353787
• Molecular Formula: C73H124F15N13O8
• Molecular Weight: 1596.85 g/mol
• Exact Mass: 1595.95
• IUPAC Name: ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(OC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2cccnc2)CC1)C(F)(F)F.Cc1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)n(C)n1.Cc1nn(C)cc1CN1CCN(C(=O)OC(C)C(F)(F)F)CC1
• InChI: InChI=1S/C15H19F3N2O2.C14H18F6N4O2.C14H21F3N4O2.C14H18F3N3O2.8C2H6/c1-12(15(16,17)18)22-14(21)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13;1-9-7-10(22(2)21-9)8-23-3-5-24(6-4-23)12(25)26-11(13(15,16)17)14(18,19)20;1-10-12(8-19(3)18-10)9-20-4-6-21(7-5-20)13(22)23-11(2)14(15,16)17;1-11(14(15,16)17)22-13(21)20-7-5-19(6-8-20)10-12-3-2-4-18-9-12;8*1-2/h2-6,12H,7-11H2,1H3;7,11H,3-6,8H2,1-2H3;8,11H,4-7,9H2,1-3H3;2-4,9,11H,5-8,10H2,1H3;8*1-2H3
• InChIKey: GSQDXMYEUMJCAY-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 179.65 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.85
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate?

The IUPAC name of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate (CID 158353787) is ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate.

What is the SMILES notation for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate?

The canonical SMILES for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate is CC.CC.CC.CC.CC.CC.CC.CC.CC(OC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F.CC(OC(=O)N1CCN(Cc2cccnc2)CC1)C(F)(F)F.Cc1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)n(C)n1.Cc1nn(C)cc1CN1CCN(C(=O)OC(C)C(F)(F)F)CC1.

What is the InChIKey of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate?

The InChIKey is GSQDXMYEUMJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.C14H18F6N4O2.C14H21F3N4O2.C14H18F3N3O2.8C2H6/c1-12(15(16,17)18)22-14(21)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13;1-9-7-10(22(2)21-9)8-23-3-5-24(6-4-23)12(25)26-11(13(15,16)17)14(18,19)20;1-10-12(8-19(3)18-10)9-20-4-6-21(7-5-20)13(22)23-11(2)14(15,16)17;1-11(14(15,16)17)22-13(21)20-7-5-19(6-8-20)10-12-3-2-4-18-9-12;8*1-2/h2-6,12H,7-11H2,1H3;7,11H,3-6,8H2,1-2H3;8,11H,4-7,9H2,1-3H3;2-4,9,11H,5-8,10H2,1H3;8*1-2H3.

What are the key properties of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate?

ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate has a molecular weight of 1596.85 g/mol, XLogP of 17.80, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2,5-dimethylpyrazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-benzylpiperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 158353787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).