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

C17H23FN4O2 — CID 110913010

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

1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol (PubChem CID 110913010) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
• PubChem CID: 110913010
• Molecular Formula: C17H23FN4O2
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.18
• IUPAC Name: 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
• SMILES: OC(COCc1ccccc1F)CN1CCC(n2cncn2)CC1
• InChI: InChI=1S/C17H23FN4O2/c18-17-4-2-1-3-14(17)10-24-11-16(23)9-21-7-5-15(6-8-21)22-13-19-12-20-22/h1-4,12-13,15-16,23H,5-11H2
• InChIKey: IXNLODCTZZTLKO-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.40
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol (CID 110913010) is 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol.

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

The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol is OC(COCc1ccccc1F)CN1CCC(n2cncn2)CC1.

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

The InChIKey is IXNLODCTZZTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-17-4-2-1-3-14(17)10-24-11-16(23)9-21-7-5-15(6-8-21)22-13-19-12-20-22/h1-4,12-13,15-16,23H,5-11H2.

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

1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 334.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110913010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).