1-but-3-en-2-yl-2,5-dimethylpiperazine

C10H20N2 — CID 64980427

IUPAC1-but-3-en-2-yl-2,5-dimethylpiperazine
SMILESC=CC(C)N1CC(C)NCC1C
InChIInChI=1S/C10H20N2/c1-5-9(3)12-7-8(2)11-6-10(12)4/h5,8-11H,1,6-7H2,2-4H3
InChIKeyOWVQCVVZTPODQB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds2

About 1-but-3-en-2-yl-2,5-dimethylpiperazine

1-but-3-en-2-yl-2,5-dimethylpiperazine (PubChem CID 64980427) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2,5-dimethylpiperazine
PubChem CID64980427
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-but-3-en-2-yl-2,5-dimethylpiperazine
SMILESC=CC(C)N1CC(C)NCC1C
InChIInChI=1S/C10H20N2/c1-5-9(3)12-7-8(2)11-6-10(12)4/h5,8-11H,1,6-7H2,2-4H3
InChIKeyOWVQCVVZTPODQB-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
CID 146529570
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
1-(1-cyclopropylbutan-2-yl)-2,5-dimethylpiperazine
CID 64936477
1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
CID 64979655
1-(1-cyclopropylpropyl)-2,5-dimethylpiperazine
CID 64979574
(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
CID 91251130
2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 64980370
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(5-bromofuran-2-yl)ethyl]-2,5-dimethylpiperazine
CID 104653795
1-but-3-en-2-yl-2,5-diethylpiperazine
CID 64978837

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2,5-dimethylpiperazine?
The IUPAC name of 1-but-3-en-2-yl-2,5-dimethylpiperazine (CID 64980427) is 1-but-3-en-2-yl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-but-3-en-2-yl-2,5-dimethylpiperazine?
The canonical SMILES for 1-but-3-en-2-yl-2,5-dimethylpiperazine is C=CC(C)N1CC(C)NCC1C.
What is the InChIKey of 1-but-3-en-2-yl-2,5-dimethylpiperazine?
The InChIKey is OWVQCVVZTPODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-9(3)12-7-8(2)11-6-10(12)4/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-2,5-dimethylpiperazine?
1-but-3-en-2-yl-2,5-dimethylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2,5-dimethylpiperazine is sourced from PubChem (CID 64980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).