3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane

C17H32N2 — CID 91807516

IUPAC3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCC(C2CN3CCC2CC3)C(C)(C)C1(C)C
InChIInChI=1S/C17H32N2/c1-16(2)15(8-9-18(5)17(16,3)4)14-12-19-10-6-13(14)7-11-19/h13-15H,6-12H2,1-5H3
InChIKeyQBNDXPAYOBLJMK-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.08
Rot. Bonds1

About 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane

3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 91807516) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane
PubChem CID91807516
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane
SMILESCN1CCC(C2CN3CCC2CC3)C(C)(C)C1(C)C
InChIInChI=1S/C17H32N2/c1-16(2)15(8-9-18(5)17(16,3)4)14-12-19-10-6-13(14)7-11-19/h13-15H,6-12H2,1-5H3
InChIKeyQBNDXPAYOBLJMK-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-1-[5-(1-tert-butylpiperidin-3-yl)-2-methylhexan-2-yl]-4-fluoropiperidine
CID 169847791
3-[1-Fluoro-3-[2-fluoro-2-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]cyclopropyl]-2-methylpropan-2-yl]-9-methyl-3,9-diazaspiro[5.5]undecane
CID 170003519
3-[(1-Fluorocyclopropyl)methyl]-9-methyl-11-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
CID 170015859
1-Tert-butyl-4-[5-(1-tert-butylpiperidin-4-yl)-2,2,5-trimethylhexyl]-4-fluoropiperidine
CID 175624459
2-Tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.2]octane
CID 176841496
Pentylhexylquinuclidine
CID 176515693
3-Methyl-1-[10-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-1-azoniabicyclo[2.2.2]octane
CID 3064222
3-Methyl-1-[9-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)nonyl]-1-azoniabicyclo[2.2.2]octane
CID 3064269
1,2,2,6,6-Pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691670
9,10-Di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane
CID 18727328
1,2,2,3,3-Pentamethyl-4-[1-(1,2,2,3,3-pentamethylpiperidin-4-yl)decyl]piperidine
CID 20406324
1,2,2,6,6-Pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine
CID 22921377

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane (CID 91807516) is 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane is CN1CCC(C2CN3CCC2CC3)C(C)(C)C1(C)C.
What is the InChIKey of 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is QBNDXPAYOBLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-16(2)15(8-9-18(5)17(16,3)4)14-12-19-10-6-13(14)7-11-19/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane?
3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 264.46 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 91807516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).