[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H18FN3O — CID 9161600

IUPAC[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H18FN3O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12,19H2
InChIKeyUUJDDFCWSYYCPY-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.37
Rot. Bonds2

About [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 9161600) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID9161600
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H18FN3O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12,19H2
InChIKeyUUJDDFCWSYYCPY-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081384
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
[4-(difluoromethylsulfanyl)phenyl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030110
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 9161600) is [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is UUJDDFCWSYYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-3-1-13(2-4-14)17(22)21-11-9-20(10-12-21)16-7-5-15(19)6-8-16/h1-8H,9-12,19H2.
What are the key properties of [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 299.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 9161600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).