1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

C17H22FN3O2 — CID 51104394

IUPAC1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-1-3-16(4-2-14)23-12-15(22)11-21-9-6-13(7-10-21)17-5-8-19-20-17/h1-5,8,13,15,22H,6-7,9-12H2,(H,19,20)
InChIKeyVHRWEUNXJZIKLA-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 51104394) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID51104394
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-1-3-16(4-2-14)23-12-15(22)11-21-9-6-13(7-10-21)17-5-8-19-20-17/h1-5,8,13,15,22H,6-7,9-12H2,(H,19,20)
InChIKeyVHRWEUNXJZIKLA-UHFFFAOYSA-N
XLogP2.17
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (CID 51104394) is 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is OC(COc1ccc(F)cc1)CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is VHRWEUNXJZIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-1-3-16(4-2-14)23-12-15(22)11-21-9-6-13(7-10-21)17-5-8-19-20-17/h1-5,8,13,15,22H,6-7,9-12H2,(H,19,20).
What are the key properties of 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 319.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 51104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).