1-(5,5-dimethylhex-2-ynyl)piperazine

C12H22N2 — CID 117269584

IUPAC1-(5,5-dimethylhex-2-ynyl)piperazine
SMILESCC(C)(C)CC#CCN1CCNCC1
InChIInChI=1S/C12H22N2/c1-12(2,3)6-4-5-9-14-10-7-13-8-11-14/h13H,6-11H2,1-3H3
InChIKeyZAYZEUHTKSBXPH-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds1

About 1-(5,5-dimethylhex-2-ynyl)piperazine

1-(5,5-dimethylhex-2-ynyl)piperazine (PubChem CID 117269584) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(5,5-dimethylhex-2-ynyl)piperazine.

Molecular Properties

Compound Name1-(5,5-dimethylhex-2-ynyl)piperazine
PubChem CID117269584
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(5,5-dimethylhex-2-ynyl)piperazine
SMILESCC(C)(C)CC#CCN1CCNCC1
InChIInChI=1S/C12H22N2/c1-12(2,3)6-4-5-9-14-10-7-13-8-11-14/h13H,6-11H2,1-3H3
InChIKeyZAYZEUHTKSBXPH-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
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

1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
1-(5-propoxypent-2-ynyl)piperazine
CID 156867220
methyl 4-piperazin-1-ylbut-2-ynoate
CID 115016129
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-(3-piperidin-3-ylprop-2-ynyl)piperazine
CID 117269532
1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
CID 60799948
1-[4-(1-propan-2-ylpyrrolidin-3-yl)but-2-ynyl]piperazine
CID 117269521
1-(3-piperidin-2-ylprop-2-ynyl)piperazine
CID 117269546
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-(2,2-dimethylpentyl)piperazine
CID 83530331
N,N,2-trimethyl-1-piperazin-1-ylpropan-2-amine
CID 50852334

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhex-2-ynyl)piperazine?
The IUPAC name of 1-(5,5-dimethylhex-2-ynyl)piperazine (CID 117269584) is 1-(5,5-dimethylhex-2-ynyl)piperazine.
What is the SMILES notation for 1-(5,5-dimethylhex-2-ynyl)piperazine?
The canonical SMILES for 1-(5,5-dimethylhex-2-ynyl)piperazine is CC(C)(C)CC#CCN1CCNCC1.
What is the InChIKey of 1-(5,5-dimethylhex-2-ynyl)piperazine?
The InChIKey is ZAYZEUHTKSBXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2,3)6-4-5-9-14-10-7-13-8-11-14/h13H,6-11H2,1-3H3.
What are the key properties of 1-(5,5-dimethylhex-2-ynyl)piperazine?
1-(5,5-dimethylhex-2-ynyl)piperazine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhex-2-ynyl)piperazine is sourced from PubChem (CID 117269584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).