1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine

C14H27N3 — CID 113282811

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C14H27N3/c1-14(15-2)5-9-17(10-6-14)13-11-16-7-3-12(13)4-8-16/h12-13,15H,3-11H2,1-2H3
InChIKeyUZTRZXRYUWYWRG-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine (PubChem CID 113282811) 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)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine
PubChem CID113282811
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C2CN3CCC2CC3)CC1
InChIInChI=1S/C14H27N3/c1-14(15-2)5-9-17(10-6-14)13-11-16-7-3-12(13)4-8-16/h12-13,15H,3-11H2,1-2H3
InChIKeyUZTRZXRYUWYWRG-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N,4-dimethylpiperidin-4-amine
CID 115304164
ethane;3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
CID 143122272
N,4-dimethyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663529
1-(3,3-dimethylcyclopentyl)-N,4-dimethylpiperidin-4-amine
CID 115304134
1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
CID 65244845
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880
1-(2-cyclopropylethyl)-N,4-dimethylpiperidin-4-amine
CID 115305380
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984775
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
2-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]propanoic acid
CID 65062890
[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazepan-1-yl] formate
CID 142774582
3-(5-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54973083

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine (CID 113282811) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(C2CN3CCC2CC3)CC1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is UZTRZXRYUWYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(15-2)5-9-17(10-6-14)13-11-16-7-3-12(13)4-8-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 237.39 g/mol, XLogP of 1.15, 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)-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 113282811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).