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

C14H27N3 — CID 43121734

IUPAC[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C14H27N3/c1-12-2-8-17(9-3-12)14(10-15)11-16-6-4-13(14)5-7-16/h12-13H,2-11,15H2,1H3
InChIKeyJMKLDZOHRVTLLB-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.14
Rot. Bonds2

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

[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 43121734) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID43121734
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C14H27N3/c1-12-2-8-17(9-3-12)14(10-15)11-16-6-4-13(14)5-7-16/h12-13H,2-11,15H2,1H3
InChIKeyJMKLDZOHRVTLLB-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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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 43121734) is [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC1CCN(C2(CN)CN3CCC2CC3)CC1.
What is the InChIKey of [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is JMKLDZOHRVTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-2-8-17(9-3-12)14(10-15)11-16-6-4-13(14)5-7-16/h12-13H,2-11,15H2,1H3.
What are the key properties of [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine 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 [3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 43121734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).