1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine

C13H26N2 — CID 156530567

IUPAC1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine
SMILESC=C(C(C)C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)10-14-6-8-15(9-7-14)13(5)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyJQYHCCYAIAYPFH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine

1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine (PubChem CID 156530567) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine
PubChem CID156530567
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine
SMILESC=C(C(C)C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)10-14-6-8-15(9-7-14)13(5)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyJQYHCCYAIAYPFH-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine (CID 156530567) is 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine is C=C(C(C)C)N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine?
The InChIKey is JQYHCCYAIAYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)10-14-6-8-15(9-7-14)13(5)12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine?
1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine has a molecular weight of 210.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 156530567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).