2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C13H25N3 — CID 115034186

IUPAC2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN1CCC(C2C(N)C3CCN2CC3)CC1
InChIInChI=1S/C13H25N3/c1-15-6-2-11(3-7-15)13-12(14)10-4-8-16(13)9-5-10/h10-13H,2-9,14H2,1H3
InChIKeyXSCGXPCIIFWKIK-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.75
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 115034186) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID115034186
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN1CCC(C2C(N)C3CCN2CC3)CC1
InChIInChI=1S/C13H25N3/c1-15-6-2-11(3-7-15)13-12(14)10-4-8-16(13)9-5-10/h10-13H,2-9,14H2,1H3
InChIKeyXSCGXPCIIFWKIK-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine
CID 174864016
ethane;1-methylpiperidin-4-amine
CID 123622295
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19108409
1-(1-methylazepan-4-yl)piperidin-4-amine
CID 65074908
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882
1-azatricyclo[5.4.1.04,12]dodecane
CID 45098480
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
(4R)-1-methylazocan-4-amine
CID 166102588
(4R,5S)-5-amino-1-methylazepan-4-ol
CID 176703641

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 115034186) is 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is CN1CCC(C2C(N)C3CCN2CC3)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XSCGXPCIIFWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-15-6-2-11(3-7-15)13-12(14)10-4-8-16(13)9-5-10/h10-13H,2-9,14H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 115034186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).