(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one

C13H21NO — CID 18555210

IUPAC(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
SMILESO=C1[C@H]2CC[C@H]1[C@H](N1CCCCC1)CC2
InChIInChI=1S/C13H21NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-12H,1-9H2/t10-,11-,12+/m0/s1
InChIKeyNWWBOOIBUFFHBM-SDDRHHMPSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds1

About (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one

(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one (PubChem CID 18555210) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
PubChem CID18555210
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one
SMILESO=C1[C@H]2CC[C@H]1[C@H](N1CCCCC1)CC2
InChIInChI=1S/C13H21NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-12H,1-9H2/t10-,11-,12+/m0/s1
InChIKeyNWWBOOIBUFFHBM-SDDRHHMPSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one?
The IUPAC name of (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one (CID 18555210) is (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one is O=C1[C@H]2CC[C@H]1[C@H](N1CCCCC1)CC2.
What is the InChIKey of (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one?
The InChIKey is NWWBOOIBUFFHBM-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-12H,1-9H2/t10-,11-,12+/m0/s1.
What are the key properties of (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one?
(1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one has a molecular weight of 207.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-piperidin-1-ylbicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 18555210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).