1-(3,3-dimethylpent-1-en-2-yl)piperazine

C11H22N2 — CID 18717508

IUPAC1-(3,3-dimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3
InChIKeyXPXOHEMNKXFTGF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.84
Rot. Bonds3

About 1-(3,3-dimethylpent-1-en-2-yl)piperazine

1-(3,3-dimethylpent-1-en-2-yl)piperazine (PubChem CID 18717508) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-en-2-yl)piperazine
PubChem CID18717508
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3,3-dimethylpent-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3
InChIKeyXPXOHEMNKXFTGF-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The IUPAC name of 1-(3,3-dimethylpent-1-en-2-yl)piperazine (CID 18717508) is 1-(3,3-dimethylpent-1-en-2-yl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The canonical SMILES for 1-(3,3-dimethylpent-1-en-2-yl)piperazine is C=C(N1CCNCC1)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
The InChIKey is XPXOHEMNKXFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(3,4)10(2)13-8-6-12-7-9-13/h12H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(3,3-dimethylpent-1-en-2-yl)piperazine?
1-(3,3-dimethylpent-1-en-2-yl)piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-en-2-yl)piperazine is sourced from PubChem (CID 18717508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).