2-butyl-3-ethenylpiperazine

C10H20N2 — CID 123503735

IUPAC2-butyl-3-ethenylpiperazine
SMILESC=CC1NCCNC1CCCC
InChIInChI=1S/C10H20N2/c1-3-5-6-10-9(4-2)11-7-8-12-10/h4,9-12H,2-3,5-8H2,1H3
InChIKeyBYLNUGOINDOZRE-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.29
Rot. Bonds4

About 2-butyl-3-ethenylpiperazine

2-butyl-3-ethenylpiperazine (PubChem CID 123503735) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-butyl-3-ethenylpiperazine.

Molecular Properties

Compound Name2-butyl-3-ethenylpiperazine
PubChem CID123503735
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-butyl-3-ethenylpiperazine
SMILESC=CC1NCCNC1CCCC
InChIInChI=1S/C10H20N2/c1-3-5-6-10-9(4-2)11-7-8-12-10/h4,9-12H,2-3,5-8H2,1H3
InChIKeyBYLNUGOINDOZRE-UHFFFAOYSA-N
XLogP1.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-butyl-3-ethenylpiperazine?
The IUPAC name of 2-butyl-3-ethenylpiperazine (CID 123503735) is 2-butyl-3-ethenylpiperazine.
What is the SMILES notation for 2-butyl-3-ethenylpiperazine?
The canonical SMILES for 2-butyl-3-ethenylpiperazine is C=CC1NCCNC1CCCC.
What is the InChIKey of 2-butyl-3-ethenylpiperazine?
The InChIKey is BYLNUGOINDOZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-6-10-9(4-2)11-7-8-12-10/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of 2-butyl-3-ethenylpiperazine?
2-butyl-3-ethenylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethenylpiperazine is sourced from PubChem (CID 123503735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).