1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine

C12H24N2 — CID 126538109

IUPAC1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(C(C)C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2/c1-10(2)12(5)14-8-6-13(7-9-14)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyBYPLTSKQQZVPOK-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds3

About 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine

1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine (PubChem CID 126538109) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
PubChem CID126538109
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(C(C)C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2/c1-10(2)12(5)14-8-6-13(7-9-14)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyBYPLTSKQQZVPOK-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
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-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine (CID 126538109) is 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine is C=C(C(C)C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is BYPLTSKQQZVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)12(5)14-8-6-13(7-9-14)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 3 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-propan-2-ylpiperazine is sourced from PubChem (CID 126538109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).