2,5,5-triethyl-1-prop-2-ynylpiperazine

C13H24N2 — CID 64933788

IUPAC2,5,5-triethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(CC)(CC)NCC1CC
InChIInChI=1S/C13H24N2/c1-5-9-15-11-13(7-3,8-4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3
InChIKeyPSLTWQFKGNAIPO-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds4

About 2,5,5-triethyl-1-prop-2-ynylpiperazine

2,5,5-triethyl-1-prop-2-ynylpiperazine (PubChem CID 64933788) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,5,5-triethyl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2,5,5-triethyl-1-prop-2-ynylpiperazine
PubChem CID64933788
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,5,5-triethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(CC)(CC)NCC1CC
InChIInChI=1S/C13H24N2/c1-5-9-15-11-13(7-3,8-4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3
InChIKeyPSLTWQFKGNAIPO-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
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

2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
2,5,5-triethyl-1-methylpiperazine
CID 64859654
5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
CID 64933982
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
1-(2,3-dimethylcyclopentyl)-2,5,5-triethylpiperazine
CID 64941490
1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
CID 64940903
2,5,5-triethyl-1-(2-methylpentan-2-yl)piperazine
CID 113472027
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 114185177

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-1-prop-2-ynylpiperazine?
The IUPAC name of 2,5,5-triethyl-1-prop-2-ynylpiperazine (CID 64933788) is 2,5,5-triethyl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2,5,5-triethyl-1-prop-2-ynylpiperazine?
The canonical SMILES for 2,5,5-triethyl-1-prop-2-ynylpiperazine is C#CCN1CC(CC)(CC)NCC1CC.
What is the InChIKey of 2,5,5-triethyl-1-prop-2-ynylpiperazine?
The InChIKey is PSLTWQFKGNAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-9-15-11-13(7-3,8-4)14-10-12(15)6-2/h1,12,14H,6-11H2,2-4H3.
What are the key properties of 2,5,5-triethyl-1-prop-2-ynylpiperazine?
2,5,5-triethyl-1-prop-2-ynylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64933788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).