(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C17H18FN3O — CID 3648748

IUPAC(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-14-6-2-4-8-16(14)20-9-11-21(12-10-20)17(22)13-5-1-3-7-15(13)19/h1-8H,9-12,19H2
InChIKeyQZMXLEGJPDLSJS-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.37
Rot. Bonds2

About (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3648748) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3648748
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-14-6-2-4-8-16(14)20-9-11-21(12-10-20)17(22)13-5-1-3-7-15(13)19/h1-8H,9-12,19H2
InChIKeyQZMXLEGJPDLSJS-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 3648748) is (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Nc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QZMXLEGJPDLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-6-2-4-8-16(14)20-9-11-21(12-10-20)17(22)13-5-1-3-7-15(13)19/h1-8H,9-12,19H2.
What are the key properties of (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]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 (2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3648748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).