1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine

C14H27N3 — CID 81458352

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(C2CN3CCC2CC3)CCC1N
InChIInChI=1S/C14H27N3/c1-2-11-9-17(8-5-13(11)15)14-10-16-6-3-12(14)4-7-16/h11-14H,2-10,15H2,1H3
InChIKeyIHBXXKHJBJQJMT-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.14
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine (PubChem CID 81458352) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
PubChem CID81458352
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(C2CN3CCC2CC3)CCC1N
InChIInChI=1S/C14H27N3/c1-2-11-9-17(8-5-13(11)15)14-10-16-6-3-12(14)4-7-16/h11-14H,2-10,15H2,1H3
InChIKeyIHBXXKHJBJQJMT-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
1-(2,4-dimethylcyclohexyl)-3-ethylpiperidin-4-amine
CID 81458379
1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
CID 65244845
1-(azetidin-3-yl)-3-ethylpiperidin-4-amine;hydrochloride
CID 130667934
3-(5-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54973083
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
3-ethyl-1-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114818939
5-ethyl-1-azatricyclo[5.2.1.02,6]decane
CID 54182605
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine
CID 79987335
ethane;3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
CID 143122272
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine (CID 81458352) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine is CCC1CN(C2CN3CCC2CC3)CCC1N.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine?
The InChIKey is IHBXXKHJBJQJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-11-9-17(8-5-13(11)15)14-10-16-6-3-12(14)4-7-16/h11-14H,2-10,15H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine has a molecular weight of 237.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).