5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine

C14H21FN4 — CID 129294930

IUPAC5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(/[C@@H]1CCCCN1C(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C14H21FN4/c1-10(2)18-8-4-3-5-12(18)14(17)19-9-11(15)6-7-13(19)16/h6-7,9-10,12,16-17H,3-5,8H2,1-2H3/b16-13+,17-14-/t12-/m0/s1
InChIKeyOUAJCFUJXSZXHZ-HBEXLOLUSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds2

About 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine

5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine (PubChem CID 129294930) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine
PubChem CID129294930
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(/[C@@H]1CCCCN1C(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C14H21FN4/c1-10(2)18-8-4-3-5-12(18)14(17)19-9-11(15)6-7-13(19)16/h6-7,9-10,12,16-17H,3-5,8H2,1-2H3/b16-13+,17-14-/t12-/m0/s1
InChIKeyOUAJCFUJXSZXHZ-HBEXLOLUSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine?
The IUPAC name of 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine (CID 129294930) is 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine is [H]/N=C(/[C@@H]1CCCCN1C(C)C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine?
The InChIKey is OUAJCFUJXSZXHZ-HBEXLOLUSA-N. The full InChI is InChI=1S/C14H21FN4/c1-10(2)18-8-4-3-5-12(18)14(17)19-9-11(15)6-7-13(19)16/h6-7,9-10,12,16-17H,3-5,8H2,1-2H3/b16-13+,17-14-/t12-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine?
5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine has a molecular weight of 264.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine is sourced from PubChem (CID 129294930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).