1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine

C10H16F2N2 — CID 123826277

IUPAC1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine
SMILESC=C/N=C(\CC)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2/c1-3-9(13-4-2)14-7-5-10(11,12)6-8-14/h4H,2-3,5-8H2,1H3/b13-9+
InChIKeyYNAKAAQYAFYUFI-UKTHLTGXSA-N
MW202.25 g/mol
LogP2.67
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine

1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine (PubChem CID 123826277) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine
PubChem CID123826277
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine
SMILESC=C/N=C(\CC)N1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2/c1-3-9(13-4-2)14-7-5-10(11,12)6-8-14/h4H,2-3,5-8H2,1H3/b13-9+
InChIKeyYNAKAAQYAFYUFI-UKTHLTGXSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine (CID 123826277) is 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine is C=C/N=C(\CC)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine?
The InChIKey is YNAKAAQYAFYUFI-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-3-9(13-4-2)14-7-5-10(11,12)6-8-14/h4H,2-3,5-8H2,1H3/b13-9+.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine?
1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine has a molecular weight of 202.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine is sourced from PubChem (CID 123826277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).