1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane

C31H63N3 — CID 159089412

IUPAC1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane
SMILESC.CCC1CCN(CC)CC1.CCN1C2CCC1CC(C)(C)C2.CCN1C2CCC1CC(C)C2
InChIInChI=1S/C11H21N.C10H19N.C9H19N.CH4/c1-4-12-9-5-6-10(12)8-11(2,3)7-9;1-3-11-9-4-5-10(11)7-8(2)6-9;1-3-9-5-7-10(4-2)8-6-9;/h9-10H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;1H4
InChIKeyKBWCJMHVXRLJAM-UHFFFAOYSA-N
MW477.87 g/mol
LogP7.69
Rot. Bonds4

About 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane

1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane (PubChem CID 159089412) has the molecular formula C31H63N3 and a molecular weight of 477.87 g/mol. Its IUPAC name is 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane.

Molecular Properties

Compound Name1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane
PubChem CID159089412
Molecular FormulaC31H63N3
Molecular Weight477.87 g/mol
Exact Mass477.50
IUPAC Name1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane
SMILESC.CCC1CCN(CC)CC1.CCN1C2CCC1CC(C)(C)C2.CCN1C2CCC1CC(C)C2
InChIInChI=1S/C11H21N.C10H19N.C9H19N.CH4/c1-4-12-9-5-6-10(12)8-11(2,3)7-9;1-3-11-9-4-5-10(11)7-8(2)6-9;1-3-9-5-7-10(4-2)8-6-9;/h9-10H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;1H4
InChIKeyKBWCJMHVXRLJAM-UHFFFAOYSA-N
XLogP7.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.87
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
8-Methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-8-azabicyclo[3.2.1]octane
CID 91522363
3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 138616809
9-Tert-butyl-3-[3-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethylbutan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 149505488
9-Tert-butyl-3-[5-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2,5-dimethylhexan-2-yl]-9-azabicyclo[3.3.1]nonane
CID 156241627
3-Methyl-8-[2-(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 156279503
(2S)-2-tert-butyl-4-[4-(3-tert-butyl-5-propan-2-ylpiperidin-1-yl)-2-methylbutan-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 156357549
2,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methylcyclobutane
CID 157584716
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
(1R,5S)-8,8-dimethyl-3-propan-2-yl-8-azoniabicyclo[3.2.1]octane;(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 157770377
3-Tert-butyl-1-azabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane
CID 157889184
3,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylcyclohexane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
CID 157963419

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane?
The IUPAC name of 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane (CID 159089412) is 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane.
What is the SMILES notation for 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane?
The canonical SMILES for 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane is C.CCC1CCN(CC)CC1.CCN1C2CCC1CC(C)(C)C2.CCN1C2CCC1CC(C)C2.
What is the InChIKey of 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane?
The InChIKey is KBWCJMHVXRLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H19N.C9H19N.CH4/c1-4-12-9-5-6-10(12)8-11(2,3)7-9;1-3-11-9-4-5-10(11)7-8(2)6-9;1-3-9-5-7-10(4-2)8-6-9;/h9-10H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;1H4.
What are the key properties of 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane?
1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane has a molecular weight of 477.87 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperidine;8-ethyl-3,3-dimethyl-8-azabicyclo[3.2.1]octane;8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane;methane is sourced from PubChem (CID 159089412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).