1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol

C11H22N2O — CID 79659648

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CN(C)CCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h10-11,14H,1,5-8H2,2-4H3
InChIKeyYTSLKRZZVJMOOD-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol

1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol (PubChem CID 79659648) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol
PubChem CID79659648
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CN(C)CCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h10-11,14H,1,5-8H2,2-4H3
InChIKeyYTSLKRZZVJMOOD-UHFFFAOYSA-N
XLogP0.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol (CID 79659648) is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol?
The InChIKey is YTSLKRZZVJMOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h10-11,14H,1,5-8H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 79659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).