6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide

C17H21N5 — CID 24704018

IUPAC6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H21N5/c18-17(19)15-6-7-16(20-12-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H3,18,19)
InChIKeyIEPMFIJBCXYAJE-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.69
Rot. Bonds4

About 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide

6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide (PubChem CID 24704018) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide
PubChem CID24704018
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H21N5/c18-17(19)15-6-7-16(20-12-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H3,18,19)
InChIKeyIEPMFIJBCXYAJE-UHFFFAOYSA-N
XLogP1.69
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.69
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

6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
4-[benzyl-[4-(5-carbamimidoyl-2-pyridinyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 19391611
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
6-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboximidamide
CID 55166419
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375
6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
CID 62973406
2-amino-3-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]propanoic acid
CID 170879480
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]benzoic acid
CID 122028627
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide (CID 24704018) is 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide?
The InChIKey is IEPMFIJBCXYAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c18-17(19)15-6-7-16(20-12-15)22-10-8-21(9-11-22)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H3,18,19).
What are the key properties of 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide?
6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 24704018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).