(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

C18H25FN4O2 — CID 95323465

About (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 95323465) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
• PubChem CID: 95323465
• Molecular Formula: C18H25FN4O2
• Molecular Weight: 348.42 g/mol
• Exact Mass: 348.20
• IUPAC Name: (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
• SMILES: O[C@@H](COCc1ccccc1F)CN1CCCC[C@@H]1Cn1cncn1
• InChI: InChI=1S/C18H25FN4O2/c19-18-7-2-1-5-15(18)11-25-12-17(24)10-22-8-4-3-6-16(22)9-23-14-20-13-21-23/h1-2,5,7,13-14,16-17,24H,3-4,6,8-12H2/t16-,17-/m1/s1
• InChIKey: XYUNYZDWOLKFBI-IAGOWNOFSA-N
• XLogP: 1.85
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.42
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 95323465) is (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is O[C@@H](COCc1ccccc1F)CN1CCCC[C@@H]1Cn1cncn1.

What is the InChIKey of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?

The InChIKey is XYUNYZDWOLKFBI-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-18-7-2-1-5-15(18)11-25-12-17(24)10-22-8-4-3-6-16(22)9-23-14-20-13-21-23/h1-2,5,7,13-14,16-17,24H,3-4,6,8-12H2/t16-,17-/m1/s1.

What are the key properties of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?

(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 348.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95323465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).