6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

C24H32N2O3 — CID 10863641

IUPAC6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCCC(N3CCc4cc(OC)c(OC)cc4C3)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-27-22-8-6-18(7-9-22)15-25-11-4-5-21(17-25)26-12-10-19-13-23(28-2)24(29-3)14-20(19)16-26/h6-9,13-14,21H,4-5,10-12,15-17H2,1-3H3
InChIKeyFUFDJKXNZQSIIE-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.74
Rot. Bonds6

About 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 10863641) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID10863641
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCCC(N3CCc4cc(OC)c(OC)cc4C3)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-27-22-8-6-18(7-9-22)15-25-11-4-5-21(17-25)26-12-10-19-13-23(28-2)24(29-3)14-20(19)16-26/h6-9,13-14,21H,4-5,10-12,15-17H2,1-3H3
InChIKeyFUFDJKXNZQSIIE-UHFFFAOYSA-N
XLogP3.74
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 45252202
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 45233862
1-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 28824109
methyl 4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]benzoate
CID 45227471
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
CID 7445947
6,7-dimethoxy-2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;dihydrate;trihydrochloride
CID 19804148
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
CID 174930098
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 10863641) is 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CN2CCCC(N3CCc4cc(OC)c(OC)cc4C3)C2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FUFDJKXNZQSIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-27-22-8-6-18(7-9-22)15-25-11-4-5-21(17-25)26-12-10-19-13-23(28-2)24(29-3)14-20(19)16-26/h6-9,13-14,21H,4-5,10-12,15-17H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 396.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10863641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).