[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C18H21N3O — CID 18147919

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cn1
InChIInChI=1S/C18H21N3O/c1-14-5-3-4-6-17(14)20-9-11-21(12-10-20)18(22)16-8-7-15(2)19-13-16/h3-8,13H,9-12H2,1-2H3
InChIKeySRJLMZDJRGRHOF-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 18147919) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID18147919
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cn1
InChIInChI=1S/C18H21N3O/c1-14-5-3-4-6-17(14)20-9-11-21(12-10-20)18(22)16-8-7-15(2)19-13-16/h3-8,13H,9-12H2,1-2H3
InChIKeySRJLMZDJRGRHOF-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
(4-methyl-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151572
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 18147919) is [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cn1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is SRJLMZDJRGRHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-5-3-4-6-17(14)20-9-11-21(12-10-20)18(22)16-8-7-15(2)19-13-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 18147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).