5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one

C17H20FN3O2 — CID 22247899

IUPAC5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-15-3-1-2-4-16(15)23-11-13-5-7-21(8-6-13)10-14-9-19-12-20-17(14)22/h1-4,9,12-13H,5-8,10-11H2,(H,19,20,22)
InChIKeyNHVIOOCUCXTYOV-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.20
Rot. Bonds5

About 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one

5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 22247899) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID22247899
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CN1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O2/c18-15-3-1-2-4-16(15)23-11-13-5-7-21(8-6-13)10-14-9-19-12-20-17(14)22/h1-4,9,12-13H,5-8,10-11H2,(H,19,20,22)
InChIKeyNHVIOOCUCXTYOV-UHFFFAOYSA-N
XLogP2.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 22247899) is 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one is O=c1[nH]cncc1CN1CCC(COc2ccccc2F)CC1.
What is the InChIKey of 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is NHVIOOCUCXTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-15-3-1-2-4-16(15)23-11-13-5-7-21(8-6-13)10-14-9-19-12-20-17(14)22/h1-4,9,12-13H,5-8,10-11H2,(H,19,20,22).
What are the key properties of 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one?
5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 317.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 22247899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).