(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride

C16H30Cl2N2O2 — CID 2837526

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCCC1)C2.Cl.Cl
InChIInChI=1S/C16H28N2O2.2ClH/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18;;/h13-15H,2-12H2,1H3;2*1H
InChIKeyOYAWJPWPFSNRLN-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.87
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride (PubChem CID 2837526) has the molecular formula C16H30Cl2N2O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride
PubChem CID2837526
Molecular FormulaC16H30Cl2N2O2
Molecular Weight353.33 g/mol
Exact Mass352.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCCC1)C2.Cl.Cl
InChIInChI=1S/C16H28N2O2.2ClH/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18;;/h13-15H,2-12H2,1H3;2*1H
InChIKeyOYAWJPWPFSNRLN-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride (CID 2837526) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride is CN1C2CCC1CC(OC(=O)CCN1CCCCC1)C2.Cl.Cl.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride?
The InChIKey is OYAWJPWPFSNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.2ClH/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18;;/h13-15H,2-12H2,1H3;2*1H.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride has a molecular weight of 353.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate;dihydrochloride is sourced from PubChem (CID 2837526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).