1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine

C16H32N2O — CID 64839370

IUPAC1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
SMILESCCCCOCCN1CC(CCC)NCC1C1CC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-19-11-9-18-13-15(6-4-2)17-12-16(18)14-7-8-14/h14-17H,3-13H2,1-2H3
InChIKeyUQGJSFFTXVGRIZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds9

About 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine

1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine (PubChem CID 64839370) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
PubChem CID64839370
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
SMILESCCCCOCCN1CC(CCC)NCC1C1CC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-19-11-9-18-13-15(6-4-2)17-12-16(18)14-7-8-14/h14-17H,3-13H2,1-2H3
InChIKeyUQGJSFFTXVGRIZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
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 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine (CID 64839370) is 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine is CCCCOCCN1CC(CCC)NCC1C1CC1.
What is the InChIKey of 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine?
The InChIKey is UQGJSFFTXVGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-10-19-11-9-18-13-15(6-4-2)17-12-16(18)14-7-8-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine?
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine is sourced from PubChem (CID 64839370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).