[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H17ClFN3O — CID 50882847

IUPAC[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1cccc(Cl)c1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-2-1-3-15(20)16(14)21-8-10-22(11-9-21)17(23)12-4-6-13(19)7-5-12/h1-7H,8-11,20H2
InChIKeyZTQYWZIRWJEZIJ-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.02
Rot. Bonds2

About [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 50882847) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID50882847
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1cccc(Cl)c1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-2-1-3-15(20)16(14)21-8-10-22(11-9-21)17(23)12-4-6-13(19)7-5-12/h1-7H,8-11,20H2
InChIKeyZTQYWZIRWJEZIJ-UHFFFAOYSA-N
XLogP3.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 50880133
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
3-chloro-2-piperidin-1-ylaniline;dihydrochloride
CID 53412034

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 50882847) is [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZTQYWZIRWJEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-14-2-1-3-15(20)16(14)21-8-10-22(11-9-21)17(23)12-4-6-13(19)7-5-12/h1-7H,8-11,20H2.
What are the key properties of [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 333.79 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 50882847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).