(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C19H23N3O — CID 28722555

IUPAC(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)c1C
InChIInChI=1S/C19H23N3O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13,20H2,1-2H3
InChIKeyQJQRLAMDGJTRRW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds2

About (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 28722555) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID28722555
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)c1C
InChIInChI=1S/C19H23N3O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13,20H2,1-2H3
InChIKeyQJQRLAMDGJTRRW-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
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-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110693026
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
N-(2,6-dimethylphenyl)-N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 100774007
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 28722555) is (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)c1C.
What is the InChIKey of (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is QJQRLAMDGJTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-4-3-5-18(15(14)2)21-10-12-22(13-11-21)19(23)16-6-8-17(20)9-7-16/h3-9H,10-13,20H2,1-2H3.
What are the key properties of (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 28722555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).