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

C11H22N2 — CID 64833964

IUPAC2-tert-butyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-5-7-13-8-6-12-9-10(13)11(2,3)4/h5,10,12H,1,6-9H2,2-4H3
InChIKeySXAIVTSODVEDIP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds2

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

2-tert-butyl-1-prop-2-enylpiperazine (PubChem CID 64833964) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-tert-butyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-prop-2-enylpiperazine
PubChem CID64833964
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-tert-butyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C(C)(C)C
InChIInChI=1S/C11H22N2/c1-5-7-13-8-6-12-9-10(13)11(2,3)4/h5,10,12H,1,6-9H2,2-4H3
InChIKeySXAIVTSODVEDIP-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
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 2-tert-butyl-1-prop-2-enylpiperazine?
The IUPAC name of 2-tert-butyl-1-prop-2-enylpiperazine (CID 64833964) is 2-tert-butyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2-tert-butyl-1-prop-2-enylpiperazine is C=CCN1CCNCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-prop-2-enylpiperazine?
The InChIKey is SXAIVTSODVEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-13-8-6-12-9-10(13)11(2,3)4/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of 2-tert-butyl-1-prop-2-enylpiperazine?
2-tert-butyl-1-prop-2-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64833964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).