5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine

C15H30N2O — CID 114264822

IUPAC5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine
SMILESC=CCOC(C)CN1CC(C(C)CC)NCC1C
InChIInChI=1S/C15H30N2O/c1-6-8-18-14(5)10-17-11-15(12(3)7-2)16-9-13(17)4/h6,12-16H,1,7-11H2,2-5H3
InChIKeyGHOIFOZEZUBXSK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds7

About 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine

5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine (PubChem CID 114264822) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine
PubChem CID114264822
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine
SMILESC=CCOC(C)CN1CC(C(C)CC)NCC1C
InChIInChI=1S/C15H30N2O/c1-6-8-18-14(5)10-17-11-15(12(3)7-2)16-9-13(17)4/h6,12-16H,1,7-11H2,2-5H3
InChIKeyGHOIFOZEZUBXSK-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine (CID 114264822) is 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine is C=CCOC(C)CN1CC(C(C)CC)NCC1C.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine?
The InChIKey is GHOIFOZEZUBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-8-18-14(5)10-17-11-15(12(3)7-2)16-9-13(17)4/h6,12-16H,1,7-11H2,2-5H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine?
5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(2-prop-2-enoxypropyl)piperazine is sourced from PubChem (CID 114264822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).