(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium

C12H25N2O2+ — CID 163482816

IUPAC(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium
SMILESCCC1(C)C(=O)N(C(C)C)CC(C)(C)N1[OH2+]
InChIInChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3/p+1
InChIKeyCGAVPNMSLVJSEQ-UHFFFAOYSA-O
MW229.34 g/mol
LogP1.13
Rot. Bonds2

About (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium

(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium (PubChem CID 163482816) has the molecular formula C12H25N2O2+ and a molecular weight of 229.34 g/mol. Its IUPAC name is (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium.

Molecular Properties

Compound Name(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium
PubChem CID163482816
Molecular FormulaC12H25N2O2+
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC Name(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium
SMILESCCC1(C)C(=O)N(C(C)C)CC(C)(C)N1[OH2+]
InChIInChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3/p+1
InChIKeyCGAVPNMSLVJSEQ-UHFFFAOYSA-O
XLogP1.13
TPSA46.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium?
The IUPAC name of (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium (CID 163482816) is (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium.
What is the SMILES notation for (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium?
The canonical SMILES for (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium is CCC1(C)C(=O)N(C(C)C)CC(C)(C)N1[OH2+].
What is the InChIKey of (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium?
The InChIKey is CGAVPNMSLVJSEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O2/c1-7-12(6)10(15)13(9(2)3)8-11(4,5)14(12)16/h9,16H,7-8H2,1-6H3/p+1.
What are the key properties of (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium?
(2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium has a molecular weight of 229.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,6,6-trimethyl-3-oxo-4-propan-2-ylpiperazin-1-yl)oxidanium is sourced from PubChem (CID 163482816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).