2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one

C17H26N2O2 — CID 39287253

IUPAC2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-10-13(2)14(3)15(11-12)21-17(4,5)16(20)19-8-6-18-7-9-19/h10-11,18H,6-9H2,1-5H3
InChIKeyKELZHTQOXGZKLE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one

2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one (PubChem CID 39287253) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
PubChem CID39287253
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCc1cc(C)c(C)c(OC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-10-13(2)14(3)15(11-12)21-17(4,5)16(20)19-8-6-18-7-9-19/h10-11,18H,6-9H2,1-5H3
InChIKeyKELZHTQOXGZKLE-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 17376907
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39288048
2-(4-fluoro-3-methylphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82303762
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
(2,4,6-trimethylphenyl)methyl 1,4-diazepane-1-carboxylate
CID 90924240
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
2-(2,3-dimethylphenoxy)-2-methyl-1-[3-[(2S)-pyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 92622293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one?
The IUPAC name of 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one (CID 39287253) is 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one.
What is the SMILES notation for 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one?
The canonical SMILES for 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one is Cc1cc(C)c(C)c(OC(C)(C)C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one?
The InChIKey is KELZHTQOXGZKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-13(2)14(3)15(11-12)21-17(4,5)16(20)19-8-6-18-7-9-19/h10-11,18H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one?
2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one is sourced from PubChem (CID 39287253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).