4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide

C15H22F2N4 — CID 75469826

IUPAC4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
SMILESCCC(c1ccc(F)cc1F)N1CCN(/C(N)=N/C)CC1
InChIInChI=1S/C15H22F2N4/c1-3-14(12-5-4-11(16)10-13(12)17)20-6-8-21(9-7-20)15(18)19-2/h4-5,10,14H,3,6-9H2,1-2H3,(H2,18,19)
InChIKeyGZQPGJKTUJNADD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.98
Rot. Bonds3

About 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide

4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide (PubChem CID 75469826) has the molecular formula C15H22F2N4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
PubChem CID75469826
Molecular FormulaC15H22F2N4
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
SMILESCCC(c1ccc(F)cc1F)N1CCN(/C(N)=N/C)CC1
InChIInChI=1S/C15H22F2N4/c1-3-14(12-5-4-11(16)10-13(12)17)20-6-8-21(9-7-20)15(18)19-2/h4-5,10,14H,3,6-9H2,1-2H3,(H2,18,19)
InChIKeyGZQPGJKTUJNADD-UHFFFAOYSA-N
XLogP1.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-amino-1-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894411
(3-aminophenyl)-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]methanone;dihydrochloride
CID 119894401
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119894372
6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
CID 133341088
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124608051
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982891
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120647394
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 71988927

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide (CID 75469826) is 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide is CCC(c1ccc(F)cc1F)N1CCN(/C(N)=N/C)CC1.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide?
The InChIKey is GZQPGJKTUJNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4/c1-3-14(12-5-4-11(16)10-13(12)17)20-6-8-21(9-7-20)15(18)19-2/h4-5,10,14H,3,6-9H2,1-2H3,(H2,18,19).
What are the key properties of 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide?
4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide has a molecular weight of 296.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 75469826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).