[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone

C17H19N3O — CID 938252

IUPAC[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone
SMILESNc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13,18H2
InChIKeyMXYJNHKKNIXOCF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds2

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

[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone (PubChem CID 938252) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone
PubChem CID938252
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone
SMILESNc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13,18H2
InChIKeyMXYJNHKKNIXOCF-UHFFFAOYSA-N
XLogP2.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone (CID 938252) is [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone is Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is MXYJNHKKNIXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-8-4-5-9-16(15)19-10-12-20(13-11-19)17(21)14-6-2-1-3-7-14/h1-9H,10-13,18H2.
What are the key properties of [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone?
[4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminophenyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 938252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).