5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine

C18H30N2O — CID 106458707

IUPAC5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-12-21-13-11-20-15-18(3,5-2)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3
InChIKeyBULICJOKXNLTNW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds7

About 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine

5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine (PubChem CID 106458707) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
PubChem CID106458707
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)(CC)NCC1c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-12-21-13-11-20-15-18(3,5-2)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3
InChIKeyBULICJOKXNLTNW-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
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-phenyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine (CID 106458707) is 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CC(C)(CC)NCC1c1ccccc1.
What is the InChIKey of 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine?
The InChIKey is BULICJOKXNLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-21-13-11-20-15-18(3,5-2)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine?
5-ethyl-5-methyl-2-phenyl-1-(2-propoxyethyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 7 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-phenyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106458707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).