2,5,5-trimethyl-1-pent-4-ynylpiperazine

C12H22N2 — CID 106221984

IUPAC2,5,5-trimethyl-1-pent-4-ynylpiperazine
SMILESC#CCCCN1CC(C)(C)NCC1C
InChIInChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(3,4)13-9-11(14)2/h1,11,13H,6-10H2,2-4H3
InChIKeyIXFPRGXJISCYHU-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds3

About 2,5,5-trimethyl-1-pent-4-ynylpiperazine

2,5,5-trimethyl-1-pent-4-ynylpiperazine (PubChem CID 106221984) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-pent-4-ynylpiperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-pent-4-ynylpiperazine
PubChem CID106221984
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,5,5-trimethyl-1-pent-4-ynylpiperazine
SMILESC#CCCCN1CC(C)(C)NCC1C
InChIInChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(3,4)13-9-11(14)2/h1,11,13H,6-10H2,2-4H3
InChIKeyIXFPRGXJISCYHU-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
CID 114124990
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
CID 106211786
2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334930
1-(2-butoxyethyl)-2,5,5-trimethylpiperazine
CID 64840639
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64839085
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908045

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-pent-4-ynylpiperazine?
The IUPAC name of 2,5,5-trimethyl-1-pent-4-ynylpiperazine (CID 106221984) is 2,5,5-trimethyl-1-pent-4-ynylpiperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-pent-4-ynylpiperazine?
The canonical SMILES for 2,5,5-trimethyl-1-pent-4-ynylpiperazine is C#CCCCN1CC(C)(C)NCC1C.
What is the InChIKey of 2,5,5-trimethyl-1-pent-4-ynylpiperazine?
The InChIKey is IXFPRGXJISCYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-8-14-10-12(3,4)13-9-11(14)2/h1,11,13H,6-10H2,2-4H3.
What are the key properties of 2,5,5-trimethyl-1-pent-4-ynylpiperazine?
2,5,5-trimethyl-1-pent-4-ynylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-pent-4-ynylpiperazine is sourced from PubChem (CID 106221984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).