1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine

C13H26N2 — CID 58171844

IUPAC1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)15-10-8-14(9-11-15)7-6-13(3,4)5/h1,6-11H2,2-5H3
InChIKeyKDWNVFNZEPSFRX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.57
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine

1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 58171844) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine
PubChem CID58171844
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)15-10-8-14(9-11-15)7-6-13(3,4)5/h1,6-11H2,2-5H3
InChIKeyKDWNVFNZEPSFRX-UHFFFAOYSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-prop-1-en-2-ylpiperazine
CID 20829762
1-Methyl-4-prop-1-en-2-ylpiperazine
CID 21366497
1-(2,2-Dimethylpropyl)-4-prop-1-en-2-ylpiperazine
CID 58171916
1,4-Bis(prop-1-en-2-yl)piperazine
CID 59955120
1-Tert-butyl-4-prop-1-en-2-ylpiperazine
CID 68104865
4-(2,2-Dimethylpropyl)-1-methyl-2-methylidenepiperazine
CID 89147390
1-Methyl-4-(4-methylpent-1-en-2-yl)piperazine
CID 89670675
2-Tert-butyl-4-ethenyl-1-methylpiperazine
CID 126620996
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)prop-2-enyl]propan-1-amine
CID 126678939
2,4,6-Trimethyl-1-prop-1-en-2-ylpiperazine
CID 129029327
1-Methyl-4-(3,3,4-trimethylpent-1-en-2-yl)piperazine
CID 130281257
1-Methyl-2-methylidene-4-(2-methylpropyl)piperazine
CID 130318506

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine (CID 58171844) is 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is KDWNVFNZEPSFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)15-10-8-14(9-11-15)7-6-13(3,4)5/h1,6-11H2,2-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine?
1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 58171844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).