6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine

C69H76N4O5 — CID 160999627

IUPAC6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESCOc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccccc3)c1)CC2.c1ccc(Oc2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1.c1ccc(Oc2cccc(CN3CCc4ccccc4C3)c2)cc1
InChIInChI=1S/C24H25NO3.C23H30N2O.C22H21NO/c1-26-23-14-19-11-12-25(17-20(19)15-24(23)27-2)16-18-7-6-10-22(13-18)28-21-8-4-3-5-9-21;1-3-9-22(10-4-1)26-23-11-7-8-20(18-23)19-24-16-12-21(13-17-24)25-14-5-2-6-15-25;1-2-10-21(11-3-1)24-22-12-6-7-18(15-22)16-23-14-13-19-8-4-5-9-20(19)17-23/h3-10,13-15H,11-12,16-17H2,1-2H3;1,3-4,7-11,18,21H,2,5-6,12-17,19H2;1-12,15H,13-14,16-17H2
InChIKeyTVRSHJFNVLKJLM-UHFFFAOYSA-N
MW1041.39 g/mol
LogP15.02
Rot. Bonds15

About 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine

6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine (PubChem CID 160999627) has the molecular formula C69H76N4O5 and a molecular weight of 1041.39 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
PubChem CID160999627
Molecular FormulaC69H76N4O5
Molecular Weight1041.39 g/mol
Exact Mass1040.58
IUPAC Name6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESCOc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccccc3)c1)CC2.c1ccc(Oc2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1.c1ccc(Oc2cccc(CN3CCc4ccccc4C3)c2)cc1
InChIInChI=1S/C24H25NO3.C23H30N2O.C22H21NO/c1-26-23-14-19-11-12-25(17-20(19)15-24(23)27-2)16-18-7-6-10-22(13-18)28-21-8-4-3-5-9-21;1-3-9-22(10-4-1)26-23-11-7-8-20(18-23)19-24-16-12-21(13-17-24)25-14-5-2-6-15-25;1-2-10-21(11-3-1)24-22-12-6-7-18(15-22)16-23-14-13-19-8-4-5-9-20(19)17-23/h3-10,13-15H,11-12,16-17H2,1-2H3;1,3-4,7-11,18,21H,2,5-6,12-17,19H2;1-12,15H,13-14,16-17H2
InChIKeyTVRSHJFNVLKJLM-UHFFFAOYSA-N
XLogP15.02
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.39
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
2-[[3-(4-ethoxyphenoxy)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11293038
2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11373829
2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-ethoxy-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 11339783
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine (CID 160999627) is 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine is COc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccccc3)c1)CC2.c1ccc(Oc2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1.c1ccc(Oc2cccc(CN3CCc4ccccc4C3)c2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine?
The InChIKey is TVRSHJFNVLKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3.C23H30N2O.C22H21NO/c1-26-23-14-19-11-12-25(17-20(19)15-24(23)27-2)16-18-7-6-10-22(13-18)28-21-8-4-3-5-9-21;1-3-9-22(10-4-1)26-23-11-7-8-20(18-23)19-24-16-12-21(13-17-24)25-14-5-2-6-15-25;1-2-10-21(11-3-1)24-22-12-6-7-18(15-22)16-23-14-13-19-8-4-5-9-20(19)17-23/h3-10,13-15H,11-12,16-17H2,1-2H3;1,3-4,7-11,18,21H,2,5-6,12-17,19H2;1-12,15H,13-14,16-17H2.
What are the key properties of 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine?
6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine has a molecular weight of 1041.39 g/mol, XLogP of 15.02, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 160999627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).