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

C20H25FN4O2 — CID 16674122

IUPAC4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C20H25FN4O2/c21-18-4-2-1-3-17(18)20(26)5-7-24(8-6-20)15-16-13-22-19(23-14-16)25-9-11-27-12-10-25/h1-4,13-14,26H,5-12,15H2
InChIKeyVOJMHKYHNPMADJ-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.94
Rot. Bonds4

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

4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 16674122) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID16674122
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C20H25FN4O2/c21-18-4-2-1-3-17(18)20(26)5-7-24(8-6-20)15-16-13-22-19(23-14-16)25-9-11-27-12-10-25/h1-4,13-14,26H,5-12,15H2
InChIKeyVOJMHKYHNPMADJ-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 16674122) is 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2cnc(N3CCOCC3)nc2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is VOJMHKYHNPMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-18-4-2-1-3-17(18)20(26)5-7-24(8-6-20)15-16-13-22-19(23-14-16)25-9-11-27-12-10-25/h1-4,13-14,26H,5-12,15H2.
What are the key properties of 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 372.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16674122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).