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

C17H27NO — CID 70608060

IUPAC(2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESO[C@@H]1CC2=C(CC=CC2)C[C@@H]1CCN1CCCCC1
InChIInChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2/t16-,17+/m0/s1
InChIKeyINMCMVBIKQWUQG-DLBZAZTESA-N
MW261.41 g/mol
LogP3.28
Rot. Bonds3

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

(2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol (PubChem CID 70608060) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
PubChem CID70608060
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESO[C@@H]1CC2=C(CC=CC2)C[C@@H]1CCN1CCCCC1
InChIInChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2/t16-,17+/m0/s1
InChIKeyINMCMVBIKQWUQG-DLBZAZTESA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol with MolForge

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Related Compounds

1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide
CID 90677944
1-[3-(Dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride
CID 90677945
4,7-Dihydro-1-(3-piperidinopropyl)-2-indanol
CID 12393829
1-[3-(Dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 12393833
4-(1-Methylpiperidin-3-yl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387360
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpyrrolidine
CID 20387372
3-(1-Methylpyrrolidin-3-yl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387376
3-[(1-Methylpyrrolidin-3-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387377
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpiperidine
CID 20387378
2-[2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)ethyl]-1-methylpiperidine
CID 20387388
3-[(1-Methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387389
1-(2-piperidin-1-ylethyl)-2,3,4,7-tetrahydro-1H-inden-2-ol
CID 20388039

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol (CID 70608060) is (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol is O[C@@H]1CC2=C(CC=CC2)C[C@@H]1CCN1CCCCC1.
What is the InChIKey of (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The InChIKey is INMCMVBIKQWUQG-DLBZAZTESA-N. The full InChI is InChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2/t16-,17+/m0/s1.
What are the key properties of (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
(2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 70608060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).