5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine

C15H30N2O — CID 64841456

IUPAC5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CC(C(C)(C)C)NCC1C1CC1
InChIInChI=1S/C15H30N2O/c1-5-18-9-8-17-11-14(15(2,3)4)16-10-13(17)12-6-7-12/h12-14,16H,5-11H2,1-4H3
InChIKeySTMCICFLFDMKTN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine

5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine (PubChem CID 64841456) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
PubChem CID64841456
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
SMILESCCOCCN1CC(C(C)(C)C)NCC1C1CC1
InChIInChI=1S/C15H30N2O/c1-5-18-9-8-17-11-14(15(2,3)4)16-10-13(17)12-6-7-12/h12-14,16H,5-11H2,1-4H3
InChIKeySTMCICFLFDMKTN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
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-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine (CID 64841456) is 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine is CCOCCN1CC(C(C)(C)C)NCC1C1CC1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine?
The InChIKey is STMCICFLFDMKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-18-9-8-17-11-14(15(2,3)4)16-10-13(17)12-6-7-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine?
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine is sourced from PubChem (CID 64841456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).