(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone

C12H17N3O — CID 82285874

IUPAC(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(N)CC2)cc1
InChIInChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)12(16)14-6-8-15(13)9-7-14/h2-5H,6-9,13H2,1H3
InChIKeyDLFUZTPGGHMZEQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.63
Rot. Bonds1

About (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone

(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone (PubChem CID 82285874) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
PubChem CID82285874
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(N)CC2)cc1
InChIInChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)12(16)14-6-8-15(13)9-7-14/h2-5H,6-9,13H2,1H3
InChIKeyDLFUZTPGGHMZEQ-UHFFFAOYSA-N
XLogP0.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone (CID 82285874) is (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(N)CC2)cc1.
What is the InChIKey of (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is DLFUZTPGGHMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)12(16)14-6-8-15(13)9-7-14/h2-5H,6-9,13H2,1H3.
What are the key properties of (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone?
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 219.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperazin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 82285874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).