2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine

C11H17FN4 — CID 71219715

IUPAC2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4/c12-10-7-14-11(15-8-10)16-5-2-9(1-4-13)3-6-16/h7-9H,1-6,13H2
InChIKeyJVKHOBOHUQQUTQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.18
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine

2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine (PubChem CID 71219715) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine
PubChem CID71219715
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4/c12-10-7-14-11(15-8-10)16-5-2-9(1-4-13)3-6-16/h7-9H,1-6,13H2
InChIKeyJVKHOBOHUQQUTQ-UHFFFAOYSA-N
XLogP1.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine (CID 71219715) is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine is NCCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is JVKHOBOHUQQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c12-10-7-14-11(15-8-10)16-5-2-9(1-4-13)3-6-16/h7-9H,1-6,13H2.
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine?
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 71219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).