2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine

C13H24N2 — CID 106224486

IUPAC2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
SMILESC#CC(CC)N1CC(C(C)C)NCC1C
InChIInChI=1S/C13H24N2/c1-6-12(7-2)15-9-13(10(3)4)14-8-11(15)5/h1,10-14H,7-9H2,2-5H3
InChIKeyLHCAYYYBDJQMFE-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine

2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine (PubChem CID 106224486) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
PubChem CID106224486
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
SMILESC#CC(CC)N1CC(C(C)C)NCC1C
InChIInChI=1S/C13H24N2/c1-6-12(7-2)15-9-13(10(3)4)14-8-11(15)5/h1,10-14H,7-9H2,2-5H3
InChIKeyLHCAYYYBDJQMFE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
CID 106224498
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
CID 106224606
5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine
CID 106224696
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
CID 64936374
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine (CID 106224486) is 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine is C#CC(CC)N1CC(C(C)C)NCC1C.
What is the InChIKey of 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine?
The InChIKey is LHCAYYYBDJQMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-12(7-2)15-9-13(10(3)4)14-8-11(15)5/h1,10-14H,7-9H2,2-5H3.
What are the key properties of 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine?
2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine is sourced from PubChem (CID 106224486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).