4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

C19H30F3N3O2 — CID 123893266

About 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 123893266) has the molecular formula C19H30F3N3O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
• PubChem CID: 123893266
• Molecular Formula: C19H30F3N3O2
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.23
• IUPAC Name: 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
• SMILES: CC1CN(CC(C)(O)C(F)(F)F)CCC1c1ccnn1C1CCC(O)CC1
• InChI: InChI=1S/C19H30F3N3O2/c1-13-11-24(12-18(2,27)19(20,21)22)10-8-16(13)17-7-9-23-25(17)14-3-5-15(26)6-4-14/h7,9,13-16,26-27H,3-6,8,10-12H2,1-2H3
• InChIKey: NFVLPNPFNAICKL-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 61.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The IUPAC name of 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 123893266) is 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is CC1CN(CC(C)(O)C(F)(F)F)CCC1c1ccnn1C1CCC(O)CC1.

What is the InChIKey of 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The InChIKey is NFVLPNPFNAICKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N3O2/c1-13-11-24(12-18(2,27)19(20,21)22)10-8-16(13)17-7-9-23-25(17)14-3-5-15(26)6-4-14/h7,9,13-16,26-27H,3-6,8,10-12H2,1-2H3.

What are the key properties of 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 389.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 123893266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).