1-(5-fluoropyrimidin-2-yl)piperidin-4-amine

C9H13FN4 — CID 71644344

IUPAC1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-8(11)2-4-14/h5-6,8H,1-4,11H2
InChIKeyJMDIYDOEPIIVGX-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.54
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine

1-(5-fluoropyrimidin-2-yl)piperidin-4-amine (PubChem CID 71644344) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
PubChem CID71644344
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-8(11)2-4-14/h5-6,8H,1-4,11H2
InChIKeyJMDIYDOEPIIVGX-UHFFFAOYSA-N
XLogP0.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine (CID 71644344) is 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine is NC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The InChIKey is JMDIYDOEPIIVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-7-5-12-9(13-6-7)14-3-1-8(11)2-4-14/h5-6,8H,1-4,11H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
1-(5-fluoropyrimidin-2-yl)piperidin-4-amine has a molecular weight of 196.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 71644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).