1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone

C10H18FN3O — CID 156518072

IUPAC1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N/C(N)=C(/C)F)CC1
InChIInChI=1S/C10H18FN3O/c1-7(11)10(12)13-9-3-5-14(6-4-9)8(2)15/h9,13H,3-6,12H2,1-2H3/b10-7-
InChIKeyMKROWRVFMDWUPR-YFHOEESVSA-N
MW215.27 g/mol
LogP0.70
Rot. Bonds2

About 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone

1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone (PubChem CID 156518072) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone
PubChem CID156518072
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N/C(N)=C(/C)F)CC1
InChIInChI=1S/C10H18FN3O/c1-7(11)10(12)13-9-3-5-14(6-4-9)8(2)15/h9,13H,3-6,12H2,1-2H3/b10-7-
InChIKeyMKROWRVFMDWUPR-YFHOEESVSA-N
XLogP0.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone (CID 156518072) is 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N/C(N)=C(/C)F)CC1.
What is the InChIKey of 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone?
The InChIKey is MKROWRVFMDWUPR-YFHOEESVSA-N. The full InChI is InChI=1S/C10H18FN3O/c1-7(11)10(12)13-9-3-5-14(6-4-9)8(2)15/h9,13H,3-6,12H2,1-2H3/b10-7-.
What are the key properties of 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone?
1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone has a molecular weight of 215.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(Z)-1-amino-2-fluoroprop-1-enyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 156518072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).