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

C9H18N2 — CID 91417986

IUPAC1-(3-methylbut-2-en-2-yl)piperazine
SMILESCC(C)=C(C)N1CCNCC1
InChIInChI=1S/C9H18N2/c1-8(2)9(3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeySDQJDICBEBWIQU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds1

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

1-(3-methylbut-2-en-2-yl)piperazine (PubChem CID 91417986) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)piperazine
PubChem CID91417986
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3-methylbut-2-en-2-yl)piperazine
SMILESCC(C)=C(C)N1CCNCC1
InChIInChI=1S/C9H18N2/c1-8(2)9(3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeySDQJDICBEBWIQU-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dimethylbut-2-enyl)piperazine
CID 20521849
2,3-Di(propan-2-ylidene)piperazine
CID 57564407
N-methyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)ethanamine
CID 58279600
N'-(3-methylbut-2-en-2-yl)ethane-1,2-diamine
CID 89191615
4-Ethyl-1-methyl-2-propan-2-ylidenepiperazine
CID 89209698
1-Methyl-2-propan-2-ylidenepiperazine
CID 89210070
1-But-2-en-2-ylpiperazine
CID 90791607
1,4-Dimethyl-2-propan-2-ylidenepiperazine
CID 129238850
1-Tert-butyl-2-propan-2-ylidenepiperazine
CID 138577799
1-N,1-N,2-N,3-tetramethylbut-2-ene-1,2-diamine
CID 138747661
(Z)-4-methyl-2-piperazin-1-ylhex-3-en-3-amine
CID 139395126
N-(2-piperazin-1-ylethyl)prop-1-en-2-amine
CID 142030208

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)piperazine?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)piperazine (CID 91417986) is 1-(3-methylbut-2-en-2-yl)piperazine.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)piperazine?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)piperazine is CC(C)=C(C)N1CCNCC1.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)piperazine?
The InChIKey is SDQJDICBEBWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)piperazine?
1-(3-methylbut-2-en-2-yl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)piperazine is sourced from PubChem (CID 91417986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).