4-(4-Methylpiperazin-1-yl)-2-(piperidin-1-yl)aniline

HCID 68679696

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCN(c2ccc(N)c(N3CCCCC3)c2)CC1
InChIKey: AQSDFDADKCVBEC-UHFFFAOYSA-N
Molecular formula: C16H26N4
Average molar mass: 274.4 g/mol
Monoisotopic mass: 274.21574685

Names & identifiers

Preferred name: 4-(4-Methylpiperazin-1-yl)-2-(piperidin-1-yl)aniline
IUPAC: 4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylaniline

Names & synonyms

4-(4-methylpiperazin-1-yl)-2-(piperidin-1-yl)anilineSCHEMBL3533660SCHEMBL31000427AQSDFDADKCVBEC-UHFFFAOYSA-N4(4Methyl-piperazin-1-yl)-2-piperidin-1-yl-phenylamine4-(4-Methyl-piperazin-1-yl)-2-piperidin-1-yl-phenylamine4-(4-methyl-piperazin1-yl)-2-piperidin-1-yl-phenylamine885704-69-8

Database identifiers

PubChem CID: 68679696

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 295

Related reactions

2 records

New reaction record

HRID 646889As productuspto-grants-2010_04

HRID 2138193As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…