5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine

C14H21FN4O — CID 59506050

IUPAC5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine
SMILESFc1cnc(N2CCC(OC3CCNCC3)CC2)nc1
InChIInChI=1S/C14H21FN4O/c15-11-9-17-14(18-10-11)19-7-3-13(4-8-19)20-12-1-5-16-6-2-12/h9-10,12-13,16H,1-8H2
InChIKeyPOAKTSGPPYACSR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.35
Rot. Bonds3

About 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine

5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine (PubChem CID 59506050) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine
PubChem CID59506050
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine
SMILESFc1cnc(N2CCC(OC3CCNCC3)CC2)nc1
InChIInChI=1S/C14H21FN4O/c15-11-9-17-14(18-10-11)19-7-3-13(4-8-19)20-12-1-5-16-6-2-12/h9-10,12-13,16H,1-8H2
InChIKeyPOAKTSGPPYACSR-UHFFFAOYSA-N
XLogP1.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine (CID 59506050) is 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine is Fc1cnc(N2CCC(OC3CCNCC3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is POAKTSGPPYACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-11-9-17-14(18-10-11)19-7-3-13(4-8-19)20-12-1-5-16-6-2-12/h9-10,12-13,16H,1-8H2.
What are the key properties of 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine?
5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 280.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 59506050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).