5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride

C17H27ClN2O3 — CID 119929813

IUPAC5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
SMILESCOc1ccc(OC)c2c1CN(CC1CCNCC1)CC2O.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-15-3-4-16(22-2)17-13(15)10-19(11-14(17)20)9-12-5-7-18-8-6-12;/h3-4,12,14,18,20H,5-11H2,1-2H3;1H
InChIKeyCAQNVGPKGIOXTC-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.97
Rot. Bonds4

About 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride

5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride (PubChem CID 119929813) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride.

Molecular Properties

Compound Name5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
PubChem CID119929813
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
SMILESCOc1ccc(OC)c2c1CN(CC1CCNCC1)CC2O.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-21-15-3-4-16(22-2)17-13(15)10-19(11-14(17)20)9-12-5-7-18-8-6-12;/h3-4,12,14,18,20H,5-11H2,1-2H3;1H
InChIKeyCAQNVGPKGIOXTC-UHFFFAOYSA-N
XLogP1.97
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride?
The IUPAC name of 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride (CID 119929813) is 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride.
What is the SMILES notation for 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride?
The canonical SMILES for 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride is COc1ccc(OC)c2c1CN(CC1CCNCC1)CC2O.Cl.
What is the InChIKey of 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride?
The InChIKey is CAQNVGPKGIOXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-21-15-3-4-16(22-2)17-13(15)10-19(11-14(17)20)9-12-5-7-18-8-6-12;/h3-4,12,14,18,20H,5-11H2,1-2H3;1H.
What are the key properties of 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride?
5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride is sourced from PubChem (CID 119929813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).