2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine

C14H26N2 — CID 106224493

IUPAC2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
SMILESC#CC(CC)N1CC(C)(CC)NCC1CC
InChIInChI=1S/C14H26N2/c1-6-12(7-2)16-11-14(5,9-4)15-10-13(16)8-3/h1,12-13,15H,7-11H2,2-5H3
InChIKeyXEWMCSWSQQQUIT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine

2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine (PubChem CID 106224493) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
PubChem CID106224493
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
SMILESC#CC(CC)N1CC(C)(CC)NCC1CC
InChIInChI=1S/C14H26N2/c1-6-12(7-2)16-11-14(5,9-4)15-10-13(16)8-3/h1,12-13,15H,7-11H2,2-5H3
InChIKeyXEWMCSWSQQQUIT-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
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

8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
CID 106224522
2,5-diethyl-5-methyl-1-prop-2-ynylpiperazine
CID 64933219
2,5-diethyl-5-methyl-1-(1-phenylpropan-2-yl)piperazine
CID 64941765
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238267
1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
CID 64945691
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
2,5-diethyl-1-(2-ethylhexyl)-5-methylpiperazine
CID 64849443
2,5-diethyl-1-[(1-ethylcyclopropyl)methyl]-5-methylpiperazine
CID 114102157
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine (CID 106224493) is 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine is C#CC(CC)N1CC(C)(CC)NCC1CC.
What is the InChIKey of 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine?
The InChIKey is XEWMCSWSQQQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-12(7-2)16-11-14(5,9-4)15-10-13(16)8-3/h1,12-13,15H,7-11H2,2-5H3.
What are the key properties of 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine?
2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine is sourced from PubChem (CID 106224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).