3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine

C8H16FN3 — CID 176992246

IUPAC3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine
SMILESC=C(NC)N1CCC(N)C(F)C1
InChIInChI=1S/C8H16FN3/c1-6(11-2)12-4-3-8(10)7(9)5-12/h7-8,11H,1,3-5,10H2,2H3
InChIKeyHKPSQNFZCNKQEO-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.05
Rot. Bonds2

About 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine

3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine (PubChem CID 176992246) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine
PubChem CID176992246
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine
SMILESC=C(NC)N1CCC(N)C(F)C1
InChIInChI=1S/C8H16FN3/c1-6(11-2)12-4-3-8(10)7(9)5-12/h7-8,11H,1,3-5,10H2,2H3
InChIKeyHKPSQNFZCNKQEO-UHFFFAOYSA-N
XLogP0.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine?
The IUPAC name of 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine (CID 176992246) is 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine?
The canonical SMILES for 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine is C=C(NC)N1CCC(N)C(F)C1.
What is the InChIKey of 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine?
The InChIKey is HKPSQNFZCNKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-6(11-2)12-4-3-8(10)7(9)5-12/h7-8,11H,1,3-5,10H2,2H3.
What are the key properties of 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine?
3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine has a molecular weight of 173.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(methylamino)ethenyl]piperidin-4-amine is sourced from PubChem (CID 176992246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).