1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol

C19H30N2O2 — CID 90335193

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol
SMILESCN1CCCCC1COCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C19H30N2O2/c1-20-10-5-4-8-18(20)14-23-15-19(22)13-21-11-9-16-6-2-3-7-17(16)12-21/h2-3,6-7,18-19,22H,4-5,8-15H2,1H3
InChIKeyZAGNHSUWFWPRND-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.91
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol (PubChem CID 90335193) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol
PubChem CID90335193
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol
SMILESCN1CCCCC1COCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C19H30N2O2/c1-20-10-5-4-8-18(20)14-23-15-19(22)13-21-11-9-16-6-2-3-7-17(16)12-21/h2-3,6-7,18-19,22H,4-5,8-15H2,1H3
InChIKeyZAGNHSUWFWPRND-UHFFFAOYSA-N
XLogP1.91
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol (CID 90335193) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol is CN1CCCCC1COCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol?
The InChIKey is ZAGNHSUWFWPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20-10-5-4-8-18(20)14-23-15-19(22)13-21-11-9-16-6-2-3-7-17(16)12-21/h2-3,6-7,18-19,22H,4-5,8-15H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methylpiperidin-2-yl)methoxy]propan-2-ol is sourced from PubChem (CID 90335193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).