4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C19H24FN3O — CID 16674054

IUPAC4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCC(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C19H24FN3O/c1-14(2)18-21-11-15(12-22-18)13-23-9-7-19(24,8-10-23)16-5-3-4-6-17(16)20/h3-6,11-12,14,24H,7-10,13H2,1-2H3
InChIKeyURAPLUCGYQCAHF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.22
Rot. Bonds4

About 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 16674054) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID16674054
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCC(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C19H24FN3O/c1-14(2)18-21-11-15(12-22-18)13-23-9-7-19(24,8-10-23)16-5-3-4-6-17(16)20/h3-6,11-12,14,24H,7-10,13H2,1-2H3
InChIKeyURAPLUCGYQCAHF-UHFFFAOYSA-N
XLogP3.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 16674054) is 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol is CC(C)c1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is URAPLUCGYQCAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14(2)18-21-11-15(12-22-18)13-23-9-7-19(24,8-10-23)16-5-3-4-6-17(16)20/h3-6,11-12,14,24H,7-10,13H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 329.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16674054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).