1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole

C58H108N20O — CID 157135503

IUPAC1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
InChIInChI=1S/C12H18N2.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.2C4H6N2.2C3H5N3/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-6H,7-11H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3
InChIKeyAJOOSKKGQLPQHG-UHFFFAOYSA-N
MW1101.64 g/mol
LogP4.08
Rot. Bonds2

About 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole

1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 157135503) has the molecular formula C58H108N20O and a molecular weight of 1101.64 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID157135503
Molecular FormulaC58H108N20O
Molecular Weight1101.64 g/mol
Exact Mass1100.90
IUPAC Name1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
InChIInChI=1S/C12H18N2.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.2C4H6N2.2C3H5N3/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-6H,7-11H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3
InChIKeyAJOOSKKGQLPQHG-UHFFFAOYSA-N
XLogP4.08
TPSA149.17 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds2
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[4-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]morpholine
CID 118032959
N-[3-[2-[4-[[4-[4-[5-[1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]morpholin-4-yl]propyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 123743529
N-[3-[2-[4-[[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]morpholin-4-yl]propyl]-4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 144832562
5-fluoro-2-[4-[2-[5-fluoro-6-(pyrazin-2-ylamino)-2-pyrazol-1-ylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-4-yl]pyrazol-1-yl]-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 144858907
6-(difluoromethyl)-3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158034812
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 158707644
3-[2-[(3R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158873545
1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 159365484
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
7-[1-(2,2-difluoro-3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-(1,3-dimethylpyrazol-4-yl)-N-(5-ethylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-(1,3-dimethylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-[3-[ethyl(methyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 159943380
2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)pyridine;2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(1H-pyrazol-5-yl)pyridine;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;2-(1H-1,2,4-triazol-5-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 159988798
2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
CID 160964279

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole (CID 157135503) is 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole is CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(Cc2ccccc2)CC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.
What is the InChIKey of 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is AJOOSKKGQLPQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.2C4H6N2.2C3H5N3/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6;1-6-3-2-4-5-6/h2-6H,7-11H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3.
What are the key properties of 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole?
1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 1101.64 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine;1,4-dimethylpiperazine;1-methylimidazole;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrazole;1-methylpyrrole;1-methylpyrrolidine;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 157135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).