(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol

C14H25NO — CID 738470

IUPAC(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2
InChIInChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/t11-,12+,13-,14-/m1/s1
InChIKeyJFIGMNBDLSGWHQ-XJFOESAGSA-N
MW223.36 g/mol
LogP2.41
Rot. Bonds1

About (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol

(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol (PubChem CID 738470) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol
PubChem CID738470
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2
InChIInChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/t11-,12+,13-,14-/m1/s1
InChIKeyJFIGMNBDLSGWHQ-XJFOESAGSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol (CID 738470) is (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol is O[C@@H]1[C@@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2.
What is the InChIKey of (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol?
The InChIKey is JFIGMNBDLSGWHQ-XJFOESAGSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/t11-,12+,13-,14-/m1/s1.
What are the key properties of (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol?
(1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol has a molecular weight of 223.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,9R)-2-piperidin-1-ylbicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 738470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).