2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride

C21H28Cl2N2O — CID 167995659

IUPAC2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride
SMILESCl.Cl.Oc1cc(C2CCCNC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H26N2O.2ClH/c24-21-12-18(17-7-4-9-22-13-17)11-19-15-23(10-8-20(19)21)14-16-5-2-1-3-6-16;;/h1-3,5-6,11-12,17,22,24H,4,7-10,13-15H2;2*1H
InChIKeyWZKGLASPZSJZCK-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.26
Rot. Bonds3

About 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride

2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride (PubChem CID 167995659) has the molecular formula C21H28Cl2N2O and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride
PubChem CID167995659
Molecular FormulaC21H28Cl2N2O
Molecular Weight395.37 g/mol
Exact Mass394.16
IUPAC Name2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride
SMILESCl.Cl.Oc1cc(C2CCCNC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H26N2O.2ClH/c24-21-12-18(17-7-4-9-22-13-17)11-19-15-23(10-8-20(19)21)14-16-5-2-1-3-6-16;;/h1-3,5-6,11-12,17,22,24H,4,7-10,13-15H2;2*1H
InChIKeyWZKGLASPZSJZCK-UHFFFAOYSA-N
XLogP4.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride with MolForge

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Related Compounds

5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 72846881
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-4-piperidin-3-ylbenzamide
CID 72845146
7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993221
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride?
The IUPAC name of 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride (CID 167995659) is 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride.
What is the SMILES notation for 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride?
The canonical SMILES for 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride is Cl.Cl.Oc1cc(C2CCCNC2)cc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride?
The InChIKey is WZKGLASPZSJZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.2ClH/c24-21-12-18(17-7-4-9-22-13-17)11-19-15-23(10-8-20(19)21)14-16-5-2-1-3-6-16;;/h1-3,5-6,11-12,17,22,24H,4,7-10,13-15H2;2*1H.
What are the key properties of 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride?
2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride has a molecular weight of 395.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-piperidin-3-yl-3,4-dihydro-1H-isoquinolin-5-ol;dihydrochloride is sourced from PubChem (CID 167995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).