2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

C19H24FN3O2 — CID 70965826

IUPAC2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(C)c1O
InChIInChI=1S/C19H24FN3O2/c1-13-19(24)17(12-25-2)22-18(21-13)11-14-7-9-23(10-8-14)16-5-3-15(20)4-6-16/h3-6,14,24H,7-12H2,1-2H3
InChIKeyRCYCQQHHCAQVAV-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds5

About 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (PubChem CID 70965826) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
PubChem CID70965826
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(C)c1O
InChIInChI=1S/C19H24FN3O2/c1-13-19(24)17(12-25-2)22-18(21-13)11-14-7-9-23(10-8-14)16-5-3-15(20)4-6-16/h3-6,14,24H,7-12H2,1-2H3
InChIKeyRCYCQQHHCAQVAV-UHFFFAOYSA-N
XLogP3.24
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-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 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The IUPAC name of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (CID 70965826) is 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is COCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(C)c1O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The InChIKey is RCYCQQHHCAQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13-19(24)17(12-25-2)22-18(21-13)11-14-7-9-23(10-8-14)16-5-3-15(20)4-6-16/h3-6,14,24H,7-12H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol has a molecular weight of 345.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 70965826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).