4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H12F3N3O — CID 136957965

IUPAC4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(C(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)8-5-9(17)15-6-14-8/h5-7H,1-4H2,(H,14,15,17)
InChIKeyGZCIQYLAMINDBM-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.55
Rot. Bonds1

About 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one

4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957965) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957965
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(C(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)8-5-9(17)15-6-14-8/h5-7H,1-4H2,(H,14,15,17)
InChIKeyGZCIQYLAMINDBM-UHFFFAOYSA-N
XLogP1.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.55
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
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
3-Methyl-6-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyrimidin-4-one
CID 126819719
3-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4(3H)-one
CID 132451116
2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371500
2-[(Piperidin-4-ylmethyl)-amino]-6-trifluoromethyl-pyrimidin-4-ol
CID 136741444
2-[4-(aminomethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741445
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957965) is 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(C(F)(F)F)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is GZCIQYLAMINDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)8-5-9(17)15-6-14-8/h5-7H,1-4H2,(H,14,15,17).
What are the key properties of 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 247.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).