[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol

C18H22FN3O2 — CID 56742573

IUPAC[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCOc1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3O2/c1-24-16-7-9-20-17(21-16)22-10-2-8-18(12-22,13-23)11-14-3-5-15(19)6-4-14/h3-7,9,23H,2,8,10-13H2,1H3
InChIKeyMMXOMSHIJZJHLR-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.45
Rot. Bonds5

About [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol (PubChem CID 56742573) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
PubChem CID56742573
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCOc1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3O2/c1-24-16-7-9-20-17(21-16)22-10-2-8-18(12-22,13-23)11-14-3-5-15(19)6-4-14/h3-7,9,23H,2,8,10-13H2,1H3
InChIKeyMMXOMSHIJZJHLR-UHFFFAOYSA-N
XLogP2.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol 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 [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol (CID 56742573) is [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol is COc1ccnc(N2CCCC(CO)(Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
The InChIKey is MMXOMSHIJZJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-16-7-9-20-17(21-16)22-10-2-8-18(12-22,13-23)11-14-3-5-15(19)6-4-14/h3-7,9,23H,2,8,10-13H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol has a molecular weight of 331.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 56742573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).