acetylene;1-methyl-4-octylpiperazine

C15H30N2 — CID 144712197

IUPACacetylene;1-methyl-4-octylpiperazine
SMILESC#C.CCCCCCCCN1CCN(C)CC1
InChIInChI=1S/C13H28N2.C2H2/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-13H2,1-2H3;1-2H
InChIKeyBMUJGKACUOEVBV-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds7

About acetylene;1-methyl-4-octylpiperazine

acetylene;1-methyl-4-octylpiperazine (PubChem CID 144712197) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is acetylene;1-methyl-4-octylpiperazine.

Molecular Properties

Compound Nameacetylene;1-methyl-4-octylpiperazine
PubChem CID144712197
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameacetylene;1-methyl-4-octylpiperazine
SMILESC#C.CCCCCCCCN1CCN(C)CC1
InChIInChI=1S/C13H28N2.C2H2/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-13H2,1-2H3;1-2H
InChIKeyBMUJGKACUOEVBV-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
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

ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
4-methyl-11-octyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011737
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
1-heptylazetidine
CID 134402356
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
(4-nonylpiperazin-1-yl)methanol
CID 574800

Frequently Asked Questions

What is the IUPAC name of acetylene;1-methyl-4-octylpiperazine?
The IUPAC name of acetylene;1-methyl-4-octylpiperazine (CID 144712197) is acetylene;1-methyl-4-octylpiperazine.
What is the SMILES notation for acetylene;1-methyl-4-octylpiperazine?
The canonical SMILES for acetylene;1-methyl-4-octylpiperazine is C#C.CCCCCCCCN1CCN(C)CC1.
What is the InChIKey of acetylene;1-methyl-4-octylpiperazine?
The InChIKey is BMUJGKACUOEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C2H2/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15;1-2/h3-13H2,1-2H3;1-2H.
What are the key properties of acetylene;1-methyl-4-octylpiperazine?
acetylene;1-methyl-4-octylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methyl-4-octylpiperazine is sourced from PubChem (CID 144712197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).