4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine

C16H31N3O — CID 134339921

IUPAC4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine
SMILESCCCC1CN(C)CC(N)C1O[C@H]1CN2CCC1CC2
InChIInChI=1S/C16H31N3O/c1-3-4-13-9-18(2)10-14(17)16(13)20-15-11-19-7-5-12(15)6-8-19/h12-16H,3-11,17H2,1-2H3/t13?,14?,15-,16?/m0/s1
InChIKeyWKYOBVQLZDMEJD-UFFJXHMVSA-N
MW281.44 g/mol
LogP1.15
Rot. Bonds4

About 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine

4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine (PubChem CID 134339921) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine.

Molecular Properties

Compound Name4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine
PubChem CID134339921
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine
SMILESCCCC1CN(C)CC(N)C1O[C@H]1CN2CCC1CC2
InChIInChI=1S/C16H31N3O/c1-3-4-13-9-18(2)10-14(17)16(13)20-15-11-19-7-5-12(15)6-8-19/h12-16H,3-11,17H2,1-2H3/t13?,14?,15-,16?/m0/s1
InChIKeyWKYOBVQLZDMEJD-UFFJXHMVSA-N
XLogP1.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine?
The IUPAC name of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine (CID 134339921) is 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine.
What is the SMILES notation for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine?
The canonical SMILES for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine is CCCC1CN(C)CC(N)C1O[C@H]1CN2CCC1CC2.
What is the InChIKey of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine?
The InChIKey is WKYOBVQLZDMEJD-UFFJXHMVSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-4-13-9-18(2)10-14(17)16(13)20-15-11-19-7-5-12(15)6-8-19/h12-16H,3-11,17H2,1-2H3/t13?,14?,15-,16?/m0/s1.
What are the key properties of 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine?
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine has a molecular weight of 281.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-methyl-5-propylpiperidin-3-amine is sourced from PubChem (CID 134339921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).