6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide

C11H18FN5 — CID 162375704

IUPAC6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1C=C(N2CCNCC2)C=C(F)N1C
InChIInChI=1S/C11H18FN5/c1-16-9(11(13)14)6-8(7-10(16)12)17-4-2-15-3-5-17/h6-7,9,15H,2-5H2,1H3,(H3,13,14)
InChIKeyWIJHHLAYPSNBLC-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.16
Rot. Bonds2

About 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide

6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide (PubChem CID 162375704) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide
PubChem CID162375704
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide
SMILES[H]/N=C(\N)C1C=C(N2CCNCC2)C=C(F)N1C
InChIInChI=1S/C11H18FN5/c1-16-9(11(13)14)6-8(7-10(16)12)17-4-2-15-3-5-17/h6-7,9,15H,2-5H2,1H3,(H3,13,14)
InChIKeyWIJHHLAYPSNBLC-UHFFFAOYSA-N
XLogP-0.16
TPSA68.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide?
The IUPAC name of 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide (CID 162375704) is 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide.
What is the SMILES notation for 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide?
The canonical SMILES for 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide is [H]/N=C(\N)C1C=C(N2CCNCC2)C=C(F)N1C.
What is the InChIKey of 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide?
The InChIKey is WIJHHLAYPSNBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-16-9(11(13)14)6-8(7-10(16)12)17-4-2-15-3-5-17/h6-7,9,15H,2-5H2,1H3,(H3,13,14).
What are the key properties of 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide?
6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide has a molecular weight of 239.30 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-4-piperazin-1-yl-2H-pyridine-2-carboximidamide is sourced from PubChem (CID 162375704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).