(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone

C14H20N2O2 — CID 82131195

IUPAC(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCNCC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-13(18-3)11(2)8-12(10)14(17)16-6-4-15-5-7-16/h8-9,15H,4-7H2,1-3H3
InChIKeyRJVLKGPPZKJGTQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.36
Rot. Bonds2

About (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone

(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone (PubChem CID 82131195) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
PubChem CID82131195
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCOc1cc(C)c(C(=O)N2CCNCC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-13(18-3)11(2)8-12(10)14(17)16-6-4-15-5-7-16/h8-9,15H,4-7H2,1-3H3
InChIKeyRJVLKGPPZKJGTQ-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
(2-methoxy-4-methyl-5-methylsulfanylphenyl)-piperazin-1-ylmethanone
CID 177216779
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814682
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
1-[4-(4,5-dimethoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805556
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone (CID 82131195) is (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone is COc1cc(C)c(C(=O)N2CCNCC2)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone?
The InChIKey is RJVLKGPPZKJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-13(18-3)11(2)8-12(10)14(17)16-6-4-15-5-7-16/h8-9,15H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone?
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82131195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).