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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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).