1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol

C23H30N2O2 — CID 90335082

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol
SMILESOC(COC1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H30N2O2/c26-22(16-24-14-12-19-7-4-5-8-20(19)15-24)18-27-23-11-6-13-25(17-23)21-9-2-1-3-10-21/h1-5,7-10,22-23,26H,6,11-18H2
InChIKeyQRQUUBYCEQWSIG-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.09
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol (PubChem CID 90335082) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol
PubChem CID90335082
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol
SMILESOC(COC1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H30N2O2/c26-22(16-24-14-12-19-7-4-5-8-20(19)15-24)18-27-23-11-6-13-25(17-23)21-9-2-1-3-10-21/h1-5,7-10,22-23,26H,6,11-18H2
InChIKeyQRQUUBYCEQWSIG-UHFFFAOYSA-N
XLogP3.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol (CID 90335082) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol is OC(COC1CCCN(c2ccccc2)C1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol?
The InChIKey is QRQUUBYCEQWSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-22(16-24-14-12-19-7-4-5-8-20(19)15-24)18-27-23-11-6-13-25(17-23)21-9-2-1-3-10-21/h1-5,7-10,22-23,26H,6,11-18H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpiperidin-3-yl)oxypropan-2-ol has a molecular weight of 366.50 g/mol, XLogP of 3.09, 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-phenylpiperidin-3-yl)oxypropan-2-ol is sourced from PubChem (CID 90335082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).