(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol

C14H20N2O — CID 156502217

IUPAC(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c17-14-9-15-7-5-13(14)16-8-6-11-3-1-2-4-12(11)10-16/h1-4,13-15,17H,5-10H2/t13-,14-/m1/s1
InChIKeyLOCGFMBOYKXUCW-ZIAGYGMSSA-N
MW232.33 g/mol
LogP0.77
Rot. Bonds1

About (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol

(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (PubChem CID 156502217) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
PubChem CID156502217
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c17-14-9-15-7-5-13(14)16-8-6-11-3-1-2-4-12(11)10-16/h1-4,13-15,17H,5-10H2/t13-,14-/m1/s1
InChIKeyLOCGFMBOYKXUCW-ZIAGYGMSSA-N
XLogP0.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 166070942
(3S,4S)-4-(1,3-dihydroisoindol-2-yl)pyrrolidin-3-ol
CID 115023582
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 62785737
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
(2S)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 165046428
(1S,2S,4R)-4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentan-1-ol
CID 163856851
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dioxothiolan-3-ol
CID 98754195
2-pyrrolidin-3-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 65419388
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30957280
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (CID 156502217) is (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is O[C@@H]1CNCC[C@H]1N1CCc2ccccc2C1.
What is the InChIKey of (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The InChIKey is LOCGFMBOYKXUCW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-9-15-7-5-13(14)16-8-6-11-3-1-2-4-12(11)10-16/h1-4,13-15,17H,5-10H2/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol has a molecular weight of 232.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 156502217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).