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

C21H26N2O — CID 156503157

IUPAC(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O/c24-21-16-22(14-17-6-2-1-3-7-17)12-11-20(21)23-13-10-18-8-4-5-9-19(18)15-23/h1-9,20-21,24H,10-16H2/t20-,21-/m1/s1
InChIKeyVUYDKUCWJAPXMM-NHCUHLMSSA-N
MW322.45 g/mol
LogP2.68
Rot. Bonds3

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

(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (PubChem CID 156503157) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
PubChem CID156503157
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCc2ccccc2C1
InChIInChI=1S/C21H26N2O/c24-21-16-22(14-17-6-2-1-3-7-17)12-11-20(21)23-13-10-18-8-4-5-9-19(18)15-23/h1-9,20-21,24H,10-16H2/t20-,21-/m1/s1
InChIKeyVUYDKUCWJAPXMM-NHCUHLMSSA-N
XLogP2.68
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol with MolForge

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Related Compounds

1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156517660
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-benzyl-4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 24782861
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
CID 142663954
(3R,4R)-1-[(4-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 10410357
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol (CID 156503157) is (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is O[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCc2ccccc2C1.
What is the InChIKey of (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
The InChIKey is VUYDKUCWJAPXMM-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21-16-22(14-17-6-2-1-3-7-17)12-11-20(21)23-13-10-18-8-4-5-9-19(18)15-23/h1-9,20-21,24H,10-16H2/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol?
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol has a molecular weight of 322.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 156503157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).