(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone

C15H19F3N4O — CID 155975784

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)cn2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F3N4O/c16-12-9-19-14(20-10-12)22-5-1-11(2-6-22)13(23)21-7-3-15(17,18)4-8-21/h9-11H,1-8H2
InChIKeyJBTQHOFIOYQHEI-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.09
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 155975784) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID155975784
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)cn2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19F3N4O/c16-12-9-19-14(20-10-12)22-5-1-11(2-6-22)13(23)21-7-3-15(17,18)4-8-21/h9-11H,1-8H2
InChIKeyJBTQHOFIOYQHEI-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone (CID 155975784) is (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncc(F)cn2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is JBTQHOFIOYQHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-12-9-19-14(20-10-12)22-5-1-11(2-6-22)13(23)21-7-3-15(17,18)4-8-21/h9-11H,1-8H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 328.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).