(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C19H23N3O — CID 28748715

IUPAC(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N)c(C)c3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-14-4-3-5-17(12-14)21-8-10-22(11-9-21)19(23)16-6-7-18(20)15(2)13-16/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyXGKRPPSBNQBAPW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds2

About (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 28748715) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID28748715
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(N)c(C)c3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-14-4-3-5-17(12-14)21-8-10-22(11-9-21)19(23)16-6-7-18(20)15(2)13-16/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyXGKRPPSBNQBAPW-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-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 28748715) is (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(N)c(C)c3)CC2)c1.
What is the InChIKey of (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XGKRPPSBNQBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-4-3-5-17(12-14)21-8-10-22(11-9-21)19(23)16-6-7-18(20)15(2)13-16/h3-7,12-13H,8-11,20H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)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-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 28748715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).