(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine

C9H15F2N3 — CID 164920887

IUPAC(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine
SMILESCC(/C=C\N)=N\C1CCNCC1(F)F
InChIInChI=1S/C9H15F2N3/c1-7(2-4-12)14-8-3-5-13-6-9(8,10)11/h2,4,8,13H,3,5-6,12H2,1H3/b4-2-,14-7+
InChIKeyCSJVUVALZAYRBR-UYNNUIAQSA-N
MW203.24 g/mol
LogP0.92
Rot. Bonds2

About (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine

(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine (PubChem CID 164920887) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine
PubChem CID164920887
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine
SMILESCC(/C=C\N)=N\C1CCNCC1(F)F
InChIInChI=1S/C9H15F2N3/c1-7(2-4-12)14-8-3-5-13-6-9(8,10)11/h2,4,8,13H,3,5-6,12H2,1H3/b4-2-,14-7+
InChIKeyCSJVUVALZAYRBR-UYNNUIAQSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Difluoromethyl)piperidin-4-yl]iminobut-1-ene-1,2-diamine
CID 173852228
N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
CID 143586132

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine?
The IUPAC name of (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine (CID 164920887) is (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine.
What is the SMILES notation for (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine?
The canonical SMILES for (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine is CC(/C=C\N)=N\C1CCNCC1(F)F.
What is the InChIKey of (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine?
The InChIKey is CSJVUVALZAYRBR-UYNNUIAQSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-7(2-4-12)14-8-3-5-13-6-9(8,10)11/h2,4,8,13H,3,5-6,12H2,1H3/b4-2-,14-7+.
What are the key properties of (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine?
(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine has a molecular weight of 203.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine is sourced from PubChem (CID 164920887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).