3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol

C23H24FN3O — CID 45166119

IUPAC3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
SMILESCc1ncc(-c2ccc(F)cc2)c(C2CCCN(Cc3cccc(O)c3)C2)n1
InChIInChI=1S/C23H24FN3O/c1-16-25-13-22(18-7-9-20(24)10-8-18)23(26-16)19-5-3-11-27(15-19)14-17-4-2-6-21(28)12-17/h2,4,6-10,12-13,19,28H,3,5,11,14-15H2,1H3
InChIKeyXVUPODKZAUUDJV-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.68
Rot. Bonds4

About 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol

3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol (PubChem CID 45166119) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
PubChem CID45166119
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
SMILESCc1ncc(-c2ccc(F)cc2)c(C2CCCN(Cc3cccc(O)c3)C2)n1
InChIInChI=1S/C23H24FN3O/c1-16-25-13-22(18-7-9-20(24)10-8-18)23(26-16)19-5-3-11-27(15-19)14-17-4-2-6-21(28)12-17/h2,4,6-10,12-13,19,28H,3,5,11,14-15H2,1H3
InChIKeyXVUPODKZAUUDJV-UHFFFAOYSA-N
XLogP4.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol (CID 45166119) is 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol is Cc1ncc(-c2ccc(F)cc2)c(C2CCCN(Cc3cccc(O)c3)C2)n1.
What is the InChIKey of 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is XVUPODKZAUUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-25-13-22(18-7-9-20(24)10-8-18)23(26-16)19-5-3-11-27(15-19)14-17-4-2-6-21(28)12-17/h2,4,6-10,12-13,19,28H,3,5,11,14-15H2,1H3.
What are the key properties of 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol?
3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 377.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 45166119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).