1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

C25H30FN3O2 — CID 16674128

IUPAC1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1nc(C)cc1C
InChIInChI=1S/C25H30FN3O2/c1-18-14-19(2)29(27-18)17-21-15-20(8-9-24(21)31-3)16-28-12-10-25(30,11-13-28)22-6-4-5-7-23(22)26/h4-9,14-15,30H,10-13,16-17H2,1-3H3
InChIKeyPUDLRSHISLBPPW-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.18
Rot. Bonds6

About 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16674128) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16674128
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESCOc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1nc(C)cc1C
InChIInChI=1S/C25H30FN3O2/c1-18-14-19(2)29(27-18)17-21-15-20(8-9-24(21)31-3)16-28-12-10-25(30,11-13-28)22-6-4-5-7-23(22)26/h4-9,14-15,30H,10-13,16-17H2,1-3H3
InChIKeyPUDLRSHISLBPPW-UHFFFAOYSA-N
XLogP4.18
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-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-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 16674128) is 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cn1nc(C)cc1C.
What is the InChIKey of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is PUDLRSHISLBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-14-19(2)29(27-18)17-21-15-20(8-9-24(21)31-3)16-28-12-10-25(30,11-13-28)22-6-4-5-7-23(22)26/h4-9,14-15,30H,10-13,16-17H2,1-3H3.
What are the key properties of 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 423.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16674128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).