[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol

C20H26FN3O — CID 56751113

IUPAC[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol
SMILESCC(C)c1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nn1
InChIInChI=1S/C20H26FN3O/c1-15(2)18-6-7-19(23-22-18)24-10-8-20(14-25,9-11-24)13-16-4-3-5-17(21)12-16/h3-7,12,15,25H,8-11,13-14H2,1-2H3
InChIKeyWADHXWOLXBTHQZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.56
Rot. Bonds5

About [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol (PubChem CID 56751113) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol
PubChem CID56751113
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol
SMILESCC(C)c1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nn1
InChIInChI=1S/C20H26FN3O/c1-15(2)18-6-7-19(23-22-18)24-10-8-20(14-25,9-11-24)13-16-4-3-5-17(21)12-16/h3-7,12,15,25H,8-11,13-14H2,1-2H3
InChIKeyWADHXWOLXBTHQZ-UHFFFAOYSA-N
XLogP3.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol (CID 56751113) is [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol is CC(C)c1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nn1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol?
The InChIKey is WADHXWOLXBTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15(2)18-6-7-19(23-22-18)24-10-8-20(14-25,9-11-24)13-16-4-3-5-17(21)12-16/h3-7,12,15,25H,8-11,13-14H2,1-2H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol has a molecular weight of 343.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56751113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).