2,2,6,6-tetramethyl-1-pentoxypiperazine

C13H28N2O — CID 174892546

IUPAC2,2,6,6-tetramethyl-1-pentoxypiperazine
SMILESCCCCCON1C(C)(C)CNCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-9-16-15-12(2,3)10-14-11-13(15,4)5/h14H,6-11H2,1-5H3
InChIKeyVTSBAJKZUIKZPZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.57
Rot. Bonds5

About 2,2,6,6-tetramethyl-1-pentoxypiperazine

2,2,6,6-tetramethyl-1-pentoxypiperazine (PubChem CID 174892546) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-pentoxypiperazine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-pentoxypiperazine
PubChem CID174892546
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2,6,6-tetramethyl-1-pentoxypiperazine
SMILESCCCCCON1C(C)(C)CNCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-9-16-15-12(2,3)10-14-11-13(15,4)5/h14H,6-11H2,1-5H3
InChIKeyVTSBAJKZUIKZPZ-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipiperidin-4-yl decanedioate;2,2,6,6-tetramethyl-1-octoxypiperazine
CID 174906692
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
3-methyl-3-octoxyazetidine
CID 83065433
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium
CID 154706988
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
3-(2-butoxyethyl)-3-propylazetidine
CID 79452561
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
1-butoxy-2,2,7,7-tetramethyl-4-[4-(2,2,7,7-tetramethylazepan-4-yl)oxybutoxy]azepane
CID 122414862

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-pentoxypiperazine?
The IUPAC name of 2,2,6,6-tetramethyl-1-pentoxypiperazine (CID 174892546) is 2,2,6,6-tetramethyl-1-pentoxypiperazine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-pentoxypiperazine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-pentoxypiperazine is CCCCCON1C(C)(C)CNCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-pentoxypiperazine?
The InChIKey is VTSBAJKZUIKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-7-8-9-16-15-12(2,3)10-14-11-13(15,4)5/h14H,6-11H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-pentoxypiperazine?
2,2,6,6-tetramethyl-1-pentoxypiperazine has a molecular weight of 228.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-pentoxypiperazine is sourced from PubChem (CID 174892546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).