1-tert-butyl-4-prop-2-enylpiperazine

C11H22N2 — CID 58245799

IUPAC1-tert-butyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyYUBLNPXXBYPCJY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds2

About 1-tert-butyl-4-prop-2-enylpiperazine

1-tert-butyl-4-prop-2-enylpiperazine (PubChem CID 58245799) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-tert-butyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-prop-2-enylpiperazine
PubChem CID58245799
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-tert-butyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyYUBLNPXXBYPCJY-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-tert-butyl-4-prop-2-enylpiperazine?
The IUPAC name of 1-tert-butyl-4-prop-2-enylpiperazine (CID 58245799) is 1-tert-butyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-tert-butyl-4-prop-2-enylpiperazine is C=CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-prop-2-enylpiperazine?
The InChIKey is YUBLNPXXBYPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5H,1,6-10H2,2-4H3.
What are the key properties of 1-tert-butyl-4-prop-2-enylpiperazine?
1-tert-butyl-4-prop-2-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 58245799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).