5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine

C16H34N2O — CID 82947083

IUPAC5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CC(C)(CC)NCC1C(C)C
InChIInChI=1S/C16H34N2O/c1-6-10-19-11-8-9-18-13-16(5,7-2)17-12-15(18)14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyAAVXOHMMPLGICK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine

5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine (PubChem CID 82947083) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
PubChem CID82947083
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CC(C)(CC)NCC1C(C)C
InChIInChI=1S/C16H34N2O/c1-6-10-19-11-8-9-18-13-16(5,7-2)17-12-15(18)14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyAAVXOHMMPLGICK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine?
The IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine (CID 82947083) is 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine is CCCOCCCN1CC(C)(CC)NCC1C(C)C.
What is the InChIKey of 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine?
The InChIKey is AAVXOHMMPLGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-10-19-11-8-9-18-13-16(5,7-2)17-12-15(18)14(3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine?
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine is sourced from PubChem (CID 82947083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).