[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C17H25N3O2 — CID 899206

IUPAC[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C)c1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-14-4-3-5-15(2)16(14)18-6-8-19(9-7-18)17(21)20-10-12-22-13-11-20/h3-5H,6-13H2,1-2H3
InChIKeyDSHWEZFQHRADOG-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.88
Rot. Bonds1

About [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 899206) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID899206
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C)c1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-14-4-3-5-15(2)16(14)18-6-8-19(9-7-18)17(21)20-10-12-22-13-11-20/h3-5H,6-13H2,1-2H3
InChIKeyDSHWEZFQHRADOG-UHFFFAOYSA-N
XLogP1.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Metolachlor morpholinone
CID 179957
Dimethachlor-deschloro
CID 54544998
4-Morpholinecarboxamide, N-(2,4-dimethylphenyl)-
CID 2306921
1-(2,6-Diisopropyl-phenyl)-3-[1-(3-morpholin-4-ylmethyl-phenyl)-cyclopentylmethyl]-urea
CID 10254469
[4-(4-Methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 57819796
N-(2,6-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 3587354
Morpholin-4-yl-(4-phenyl-piperazin-1-yl)-methanone
CID 878243
Morlincain
CID 53279
[4-(3,5-Dimethyl-phenyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 656229
(4-(2,4-Dimethylphenyl)piperazin-1-yl)(morpholino)methanone
CID 888848
4-(2,6-Dimethylphenyl)piperazinyl piperidyl ketone
CID 974947
4-(4-Ethylphenyl)piperazinyl morpholin-4-yl ketone
CID 977118

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 899206) is [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is Cc1cccc(C)c1N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is DSHWEZFQHRADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-4-3-5-15(2)16(14)18-6-8-19(9-7-18)17(21)20-10-12-22-13-11-20/h3-5H,6-13H2,1-2H3.
What are the key properties of [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).