(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol

C15H23NO — CID 54095593

IUPAC(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESO[C@H]1CC2=C(CC=CC2)C[C@H]1N1CCCCC1
InChIInChI=1S/C15H23NO/c17-15-11-13-7-3-2-6-12(13)10-14(15)16-8-4-1-5-9-16/h2-3,14-15,17H,1,4-11H2/t14-,15+/m1/s1
InChIKeyMWWIFLKDFWITIJ-CABCVRRESA-N
MW233.35 g/mol
LogP2.64
Rot. Bonds1

About (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol

(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol (PubChem CID 54095593) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
PubChem CID54095593
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESO[C@H]1CC2=C(CC=CC2)C[C@H]1N1CCCCC1
InChIInChI=1S/C15H23NO/c17-15-11-13-7-3-2-6-12(13)10-14(15)16-8-4-1-5-9-16/h2-3,14-15,17H,1,4-11H2/t14-,15+/m1/s1
InChIKeyMWWIFLKDFWITIJ-CABCVRRESA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The IUPAC name of (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol (CID 54095593) is (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The canonical SMILES for (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol is O[C@H]1CC2=C(CC=CC2)C[C@H]1N1CCCCC1.
What is the InChIKey of (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The InChIKey is MWWIFLKDFWITIJ-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO/c17-15-11-13-7-3-2-6-12(13)10-14(15)16-8-4-1-5-9-16/h2-3,14-15,17H,1,4-11H2/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 54095593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).