4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol

C25H36N4O — CID 135971346

IUPAC4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol
SMILESCc1cnc(C)c(-c2ccc(O)c(CNCC3(N4CCCCC4)CCCCC3)c2)n1
InChIInChI=1S/C25H36N4O/c1-19-16-27-20(2)24(28-19)21-9-10-23(30)22(15-21)17-26-18-25(11-5-3-6-12-25)29-13-7-4-8-14-29/h9-10,15-16,26,30H,3-8,11-14,17-18H2,1-2H3
InChIKeyCTKQBQBYWHSEAI-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.74
Rot. Bonds6

About 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol

4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol (PubChem CID 135971346) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol
PubChem CID135971346
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol
SMILESCc1cnc(C)c(-c2ccc(O)c(CNCC3(N4CCCCC4)CCCCC3)c2)n1
InChIInChI=1S/C25H36N4O/c1-19-16-27-20(2)24(28-19)21-9-10-23(30)22(15-21)17-26-18-25(11-5-3-6-12-25)29-13-7-4-8-14-29/h9-10,15-16,26,30H,3-8,11-14,17-18H2,1-2H3
InChIKeyCTKQBQBYWHSEAI-UHFFFAOYSA-N
XLogP4.74
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
CID 929817
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
2,6-Bis(tert-butyl)-4-(morpholin-4-yl-2-pyridylmethyl)phenol
CID 4016538
4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridin-2-ylphenol
CID 155528448
2,3-Bis(4-hydroxyphenyl)-pyrido[3,4-b]pyrazin-8-ylamine
CID 135610077
2-[[3-(Dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol
CID 45488914
7-(Propyl(2-(4-(pyridin-3-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 52943355
2-[[(6-Phenyl-3-pyridinyl)amino]methyl]phenol
CID 122182763
3-(3,5-Dimethyl-4-hydroxybenzylidene)anabaseine
CID 135869163
2-[[(1-Benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
2-[[(1-Benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol
CID 135971348

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol (CID 135971346) is 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol is Cc1cnc(C)c(-c2ccc(O)c(CNCC3(N4CCCCC4)CCCCC3)c2)n1.
What is the InChIKey of 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is CTKQBQBYWHSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-19-16-27-20(2)24(28-19)21-9-10-23(30)22(15-21)17-26-18-25(11-5-3-6-12-25)29-13-7-4-8-14-29/h9-10,15-16,26,30H,3-8,11-14,17-18H2,1-2H3.
What are the key properties of 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol?
4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 408.59 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazin-2-yl)-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 135971346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).