1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine

C16H28N2 — CID 156860737

IUPAC1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine
SMILESC=C(C(C)C)N1CCN(CCC#CC(C)C)CC1
InChIInChI=1S/C16H28N2/c1-14(2)8-6-7-9-17-10-12-18(13-11-17)16(5)15(3)4/h14-15H,5,7,9-13H2,1-4H3
InChIKeyARZRYVTYRUGGNW-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine

1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine (PubChem CID 156860737) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine
PubChem CID156860737
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine
SMILESC=C(C(C)C)N1CCN(CCC#CC(C)C)CC1
InChIInChI=1S/C16H28N2/c1-14(2)8-6-7-9-17-10-12-18(13-11-17)16(5)15(3)4/h14-15H,5,7,9-13H2,1-4H3
InChIKeyARZRYVTYRUGGNW-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(3-methylbut-1-en-2-yl)piperazine
CID 57797750
1-Ethyl-4-(3-methylbut-1-en-2-yl)piperazine
CID 89084957
1-(3-Methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
CID 126538109
1-Hex-1-en-5-yn-2-yl-4-methylpiperazine
CID 139355039
N-[2-(4-but-1-en-2-ylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
CID 139421773
1-But-1-en-2-yl-4-methylpiperazine;ethane
CID 141952783
1-But-1-en-2-yl-4-methylpiperazine
CID 141952784
1-(3-Methylbut-1-en-2-yl)-4-(2-methylpropyl)piperazine
CID 156530567
Ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine
CID 156708089
Deuterium monohydride;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine
CID 157993484
1-But-1-en-2-yl-4-(5-methylhex-3-ynyl)piperazine
CID 166753127
Ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine
CID 168925785

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine (CID 156860737) is 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine is C=C(C(C)C)N1CCN(CCC#CC(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine?
The InChIKey is ARZRYVTYRUGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(2)8-6-7-9-17-10-12-18(13-11-17)16(5)15(3)4/h14-15H,5,7,9-13H2,1-4H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine?
1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine has a molecular weight of 248.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-4-(5-methylhex-3-ynyl)piperazine is sourced from PubChem (CID 156860737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).