4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide

C18H22FN5 — CID 122096482

IUPAC4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCc1ccnc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H22FN5/c1-14-6-7-21-16(12-14)13-22-18(20)24-10-8-23(9-11-24)17-4-2-15(19)3-5-17/h2-7,12H,8-11,13H2,1H3,(H2,20,22)
InChIKeyNUAMPJKBPJGZSL-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.17
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide (PubChem CID 122096482) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
PubChem CID122096482
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
SMILESCc1ccnc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H22FN5/c1-14-6-7-21-16(12-14)13-22-18(20)24-10-8-23(9-11-24)17-4-2-15(19)3-5-17/h2-7,12H,8-11,13H2,1H3,(H2,20,22)
InChIKeyNUAMPJKBPJGZSL-UHFFFAOYSA-N
XLogP2.17
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(4-fluorophenyl)-N'-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111802431
4-(4-fluorophenyl)-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111041454
4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119145902
4-(4-fluorophenyl)-N'-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111064796
4-(4-fluorophenyl)-N'-[2-(5-methylpyrazin-2-yl)ethyl]piperazine-1-carboximidamide
CID 122098433
N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111061860
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120524
4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111088513
4-(4-fluorophenyl)-N'-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111038776
N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 119147247
N'-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 122097417

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide (CID 122096482) is 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide is Cc1ccnc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide?
The InChIKey is NUAMPJKBPJGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5/c1-14-6-7-21-16(12-14)13-22-18(20)24-10-8-23(9-11-24)17-4-2-15(19)3-5-17/h2-7,12H,8-11,13H2,1H3,(H2,20,22).
What are the key properties of 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide has a molecular weight of 327.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 122096482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).