2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide

C13H21N5 — CID 43585311

IUPAC2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C13H21N5/c1-10(2)17-5-7-18(8-6-17)12-9-11(13(14)15)3-4-16-12/h3-4,9-10H,5-8H2,1-2H3,(H3,14,15)
InChIKeyQNYZBBRZRZGHAJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide

2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide (PubChem CID 43585311) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
PubChem CID43585311
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C13H21N5/c1-10(2)17-5-7-18(8-6-17)12-9-11(13(14)15)3-4-16-12/h3-4,9-10H,5-8H2,1-2H3,(H3,14,15)
InChIKeyQNYZBBRZRZGHAJ-UHFFFAOYSA-N
XLogP0.90
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.90
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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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
CID 28745079
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
3-(4-propan-2-ylpiperazin-1-yl)pyrazine-2-carboximidamide
CID 62684885
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
CID 81464752
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587
2-imidazol-1-ylpyridine-4-carboximidamide
CID 24703180
2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107750066
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 81279590
2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide (CID 43585311) is 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCN(C(C)C)CC2)c1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide?
The InChIKey is QNYZBBRZRZGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)17-5-7-18(8-6-17)12-9-11(13(14)15)3-4-16-12/h3-4,9-10H,5-8H2,1-2H3,(H3,14,15).
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide?
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 43585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).