1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone

C17H26N2O2 — CID 82250748

IUPAC1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone
SMILESCC(C)C1CNC(C)(C)CN1C(=O)COc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)15-10-18-17(3,4)12-19(15)16(20)11-21-14-8-6-5-7-9-14/h5-9,13,15,18H,10-12H2,1-4H3
InChIKeyMGPNQNGUFPTMRF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds4

About 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone

1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone (PubChem CID 82250748) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone
PubChem CID82250748
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone
SMILESCC(C)C1CNC(C)(C)CN1C(=O)COc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)15-10-18-17(3,4)12-19(15)16(20)11-21-14-8-6-5-7-9-14/h5-9,13,15,18H,10-12H2,1-4H3
InChIKeyMGPNQNGUFPTMRF-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82251019
(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 82248799
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenoxyethanone
CID 66207936
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
CID 82246388
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone (CID 82250748) is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone is CC(C)C1CNC(C)(C)CN1C(=O)COc1ccccc1.
What is the InChIKey of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone?
The InChIKey is MGPNQNGUFPTMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)15-10-18-17(3,4)12-19(15)16(20)11-21-14-8-6-5-7-9-14/h5-9,13,15,18H,10-12H2,1-4H3.
What are the key properties of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone?
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone has a molecular weight of 290.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 82250748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).