[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate

C15H25NO2 — CID 98272555

IUPAC[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate
SMILESCC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C15H25NO2/c1-11(17)18-15-12-5-7-13(15)14(8-6-12)16-9-3-2-4-10-16/h12-15H,2-10H2,1H3/t12-,13-,14-,15+/m0/s1
InChIKeyWAAWXHBKTWLHRM-ZQDZILKHSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds2

About [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate

[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate (PubChem CID 98272555) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate.

Molecular Properties

Compound Name[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate
PubChem CID98272555
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate
SMILESCC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@@H](N1CCCCC1)CC2
InChIInChI=1S/C15H25NO2/c1-11(17)18-15-12-5-7-13(15)14(8-6-12)16-9-3-2-4-10-16/h12-15H,2-10H2,1H3/t12-,13-,14-,15+/m0/s1
InChIKeyWAAWXHBKTWLHRM-ZQDZILKHSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate?
The IUPAC name of [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate (CID 98272555) is [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate.
What is the SMILES notation for [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate?
The canonical SMILES for [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate is CC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@@H](N1CCCCC1)CC2.
What is the InChIKey of [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate?
The InChIKey is WAAWXHBKTWLHRM-ZQDZILKHSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(17)18-15-12-5-7-13(15)14(8-6-12)16-9-3-2-4-10-16/h12-15H,2-10H2,1H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate?
[(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate has a molecular weight of 251.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5S,8R)-2-piperidin-1-yl-8-bicyclo[3.2.1]octanyl] acetate is sourced from PubChem (CID 98272555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).