4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide

C29H36N4 — CID 4125324

IUPAC4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
SMILESCc1cc(C)c(/N=C(/Nc2c(C)cc(C)cc2C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C29H36N4/c1-20-16-22(3)27(23(4)17-20)30-29(31-28-24(5)18-21(2)19-25(28)6)33-14-12-32(13-15-33)26-10-8-7-9-11-26/h7-11,16-19H,12-15H2,1-6H3,(H,30,31)
InChIKeyNOYDAQORVUWRCV-UHFFFAOYSA-N
MW440.64 g/mol
LogP6.46
Rot. Bonds3

About 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide

4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide (PubChem CID 4125324) has the molecular formula C29H36N4 and a molecular weight of 440.64 g/mol. Its IUPAC name is 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
PubChem CID4125324
Molecular FormulaC29H36N4
Molecular Weight440.64 g/mol
Exact Mass440.29
IUPAC Name4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide
SMILESCc1cc(C)c(/N=C(/Nc2c(C)cc(C)cc2C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C29H36N4/c1-20-16-22(3)27(23(4)17-20)30-29(31-28-24(5)18-21(2)19-25(28)6)33-14-12-32(13-15-33)26-10-8-7-9-11-26/h7-11,16-19H,12-15H2,1-6H3,(H,30,31)
InChIKeyNOYDAQORVUWRCV-UHFFFAOYSA-N
XLogP6.46
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40773378
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfinyl-N-(2,4,6-trimethylphenyl)acetamide
CID 655763
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
1-[(E)-N-(4,6-dimethylpyrimidin-2-yl)-C-(4-phenylpiperazin-1-yl)carbonimidoyl]-3-phenylurea
CID 135610042
N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108522782
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531797
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The IUPAC name of 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide (CID 4125324) is 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide is Cc1cc(C)c(/N=C(/Nc2c(C)cc(C)cc2C)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
The InChIKey is NOYDAQORVUWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4/c1-20-16-22(3)27(23(4)17-20)30-29(31-28-24(5)18-21(2)19-25(28)6)33-14-12-32(13-15-33)26-10-8-7-9-11-26/h7-11,16-19H,12-15H2,1-6H3,(H,30,31).
What are the key properties of 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide?
4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide has a molecular weight of 440.64 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N'-bis(2,4,6-trimethylphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 4125324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).