2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine

C18H23FN4 — CID 143926417

IUPAC2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine
SMILES[H]/N=C(/C1=C(/C(Cc2ccc(F)cc2)=N/[H])CCC1)N1CCNCC1
InChIInChI=1S/C18H23FN4/c19-14-6-4-13(5-7-14)12-17(20)15-2-1-3-16(15)18(21)23-10-8-22-9-11-23/h4-7,20-22H,1-3,8-12H2/b20-17+,21-18-
InChIKeyZVYHGCXPJGPBRE-QFKMPRMPSA-N
MW314.41 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine

2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine (PubChem CID 143926417) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine
PubChem CID143926417
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine
SMILES[H]/N=C(/C1=C(/C(Cc2ccc(F)cc2)=N/[H])CCC1)N1CCNCC1
InChIInChI=1S/C18H23FN4/c19-14-6-4-13(5-7-14)12-17(20)15-2-1-3-16(15)18(21)23-10-8-22-9-11-23/h4-7,20-22H,1-3,8-12H2/b20-17+,21-18-
InChIKeyZVYHGCXPJGPBRE-QFKMPRMPSA-N
XLogP2.75
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
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

2-(4,5-dihydro-1H-imidazol-2-yl)-1-[(2-fluorophenyl)methyl]-4-methylpiperazine
CID 10564413
1-[(2,4-difluorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 10756202
2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 23184047
[3-(Fluoromethyl)piperazin-1-yl]-phenylmethanimine
CID 58852061
4-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]piperidine
CID 68083133
4-[4-(4-Fluorophenyl)piperidin-1-yl]butanimidamide
CID 69756877
4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pentanimidamide
CID 69757124
4-[4-(3,4-Difluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]butanimidamide
CID 69852331
2-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 82281519
2-[2-(3-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 82281520
(2R)-N-chloro-1-imino-1-[2-imino-5-(trifluoromethyl)-1-pyridinyl]-4-phenylbutan-2-amine
CID 89441548
4-[(4-Fluorophenyl)methyl]-7-piperazin-1-yl-3-(trifluoromethyl)-1,2-diazacyclohepta-2,4,5,7-tetraene
CID 91232890

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine (CID 143926417) is 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine is [H]/N=C(/C1=C(/C(Cc2ccc(F)cc2)=N/[H])CCC1)N1CCNCC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine?
The InChIKey is ZVYHGCXPJGPBRE-QFKMPRMPSA-N. The full InChI is InChI=1S/C18H23FN4/c19-14-6-4-13(5-7-14)12-17(20)15-2-1-3-16(15)18(21)23-10-8-22-9-11-23/h4-7,20-22H,1-3,8-12H2/b20-17+,21-18-.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine?
2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine has a molecular weight of 314.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(piperazine-1-carboximidoyl)cyclopenten-1-yl]ethanimine is sourced from PubChem (CID 143926417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).