1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium

C13H26NO+ — CID 154706988

IUPAC1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium
SMILESCCCCON1C(C)(C)C[CH+]CC1(C)C
InChIInChI=1S/C13H26NO/c1-6-7-11-15-14-12(2,3)9-8-10-13(14,4)5/h8H,6-7,9-11H2,1-5H3/q+1
InChIKeyFHMDSLOGZNKCBP-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.58
Rot. Bonds4

About 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium

1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium (PubChem CID 154706988) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium.

Molecular Properties

Compound Name1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium
PubChem CID154706988
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC Name1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium
SMILESCCCCON1C(C)(C)C[CH+]CC1(C)C
InChIInChI=1S/C13H26NO/c1-6-7-11-15-14-12(2,3)9-8-10-13(14,4)5/h8H,6-7,9-11H2,1-5H3/q+1
InChIKeyFHMDSLOGZNKCBP-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-tetramethyl-1-pentoxypiperazine
CID 174892546
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine
CID 58330422
3-[1,5-bis[(1-butoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]pentoxy]-1-butoxy-2,2,5,5-tetramethylpyrrolidine
CID 122414997
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
1-butoxy-2,2,7,7-tetramethyl-4-[4-(2,2,7,7-tetramethylazepan-4-yl)oxybutoxy]azepane
CID 122414862
4-[4-[3,4-bis(1-butoxy-2,2,7,7-tetramethylazepan-4-yl)phenyl]-2-(1-butoxy-2,2,7,7-tetramethylazepan-4-yl)phenyl]-1-butoxy-2,2,7,7-tetramethylazepane
CID 122415074
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
N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine
CID 87307781

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium?
The IUPAC name of 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium (CID 154706988) is 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium.
What is the SMILES notation for 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium?
The canonical SMILES for 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium is CCCCON1C(C)(C)C[CH+]CC1(C)C.
What is the InChIKey of 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium?
The InChIKey is FHMDSLOGZNKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO/c1-6-7-11-15-14-12(2,3)9-8-10-13(14,4)5/h8H,6-7,9-11H2,1-5H3/q+1.
What are the key properties of 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium?
1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium has a molecular weight of 212.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-ylium is sourced from PubChem (CID 154706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).