2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol

C29H33ClN2O2 — CID 10950883

IUPAC2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1
InChIInChI=1S/C29H33ClN2O2/c1-29(23-8-11-27(12-9-23)34-19-18-31-15-3-2-4-16-31)28-13-10-26(33)20-22(28)14-17-32(29)25-7-5-6-24(30)21-25/h5-13,20-21,33H,2-4,14-19H2,1H3
InChIKeyIOFOGLZEKKPQKF-UHFFFAOYSA-N
MW477.05 g/mol
LogP6.24
Rot. Bonds6

About 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol

2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (PubChem CID 10950883) has the molecular formula C29H33ClN2O2 and a molecular weight of 477.05 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
PubChem CID10950883
Molecular FormulaC29H33ClN2O2
Molecular Weight477.05 g/mol
Exact Mass476.22
IUPAC Name2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
SMILESCC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1
InChIInChI=1S/C29H33ClN2O2/c1-29(23-8-11-27(12-9-23)34-19-18-31-15-3-2-4-16-31)28-13-10-26(33)20-22(28)14-17-32(29)25-7-5-6-24(30)21-25/h5-13,20-21,33H,2-4,14-19H2,1H3
InChIKeyIOFOGLZEKKPQKF-UHFFFAOYSA-N
XLogP6.24
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol with MolForge

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Related Compounds

2-Phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 9953602
2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
CID 448915
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10026593
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10479379
2-[3-(Dimethylamino)phenyl]-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10885394
1-Methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-[3-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10917876
1-Methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928571
2-(4-Chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928882
2-(3-Hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10939453
2-(3-Chlorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10950649
1-Methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10993930
2-(3-Fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11015765

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol (CID 10950883) is 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is CC1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
The InChIKey is IOFOGLZEKKPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O2/c1-29(23-8-11-27(12-9-23)34-19-18-31-15-3-2-4-16-31)28-13-10-26(33)20-22(28)14-17-32(29)25-7-5-6-24(30)21-25/h5-13,20-21,33H,2-4,14-19H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol?
2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol has a molecular weight of 477.05 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 10950883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).