4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one

C9H12FN3O — CID 164648869

IUPAC4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(F)CC2)nc[nH]1
InChIInChI=1S/C9H12FN3O/c10-7-1-3-13(4-2-7)8-5-9(14)12-6-11-8/h5-7H,1-4H2,(H,11,12,14)
InChIKeyOFVDDEDQHQLMBV-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.71
Rot. Bonds1

About 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 164648869) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID164648869
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(F)CC2)nc[nH]1
InChIInChI=1S/C9H12FN3O/c10-7-1-3-13(4-2-7)8-5-9(14)12-6-11-8/h5-7H,1-4H2,(H,11,12,14)
InChIKeyOFVDDEDQHQLMBV-UHFFFAOYSA-N
XLogP0.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
5-fluoro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136487790
4-piperidin-1-yl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 173528079
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957051
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957809
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137270960

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one (CID 164648869) is 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC(F)CC2)nc[nH]1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OFVDDEDQHQLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-7-1-3-13(4-2-7)8-5-9(14)12-6-11-8/h5-7H,1-4H2,(H,11,12,14).
What are the key properties of 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 197.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 164648869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).