2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline

C30H35FN2O2 — CID 23440862

IUPAC2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1cccc(OC(C)C2CCCCN2)c1
InChIInChI=1S/C30H35FN2O2/c1-21(29-8-3-4-16-32-29)35-27-7-5-6-22(18-27)19-30-28-14-13-26(34-2)20-23(28)15-17-33(30)25-11-9-24(31)10-12-25/h5-7,9-14,18,20-21,29-30,32H,3-4,8,15-17,19H2,1-2H3
InChIKeyCXJYICBIDLVGKL-UHFFFAOYSA-N
MW474.62 g/mol
LogP6.09
Rot. Bonds7

About 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline

2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 23440862) has the molecular formula C30H35FN2O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID23440862
Molecular FormulaC30H35FN2O2
Molecular Weight474.62 g/mol
Exact Mass474.27
IUPAC Name2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1cccc(OC(C)C2CCCCN2)c1
InChIInChI=1S/C30H35FN2O2/c1-21(29-8-3-4-16-32-29)35-27-7-5-6-22(18-27)19-30-28-14-13-26(34-2)20-23(28)15-17-33(30)25-11-9-24(31)10-12-25/h5-7,9-14,18,20-21,29-30,32H,3-4,8,15-17,19H2,1-2H3
InChIKeyCXJYICBIDLVGKL-UHFFFAOYSA-N
XLogP6.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

6-phenylmethoxy-1-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 23440911
2-(4-fluorophenyl)-1-[2-[4-(1-piperidin-2-ylethoxy)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440902
6-methoxy-2-(oxan-4-yl)-1-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 23440849
2-(4-fluorophenyl)-1-[[3-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 69314340
2-(4-fluorophenyl)-1-[[4-[1-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440905
2-(4-fluorophenyl)-6-methoxy-1-[phenyl(2-piperidin-2-ylethoxy)methyl]-3,4-dihydro-1H-isoquinoline
CID 70019575
2-[[2-(4-fluorophenyl)-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]acetamide
CID 69317000
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
2-(4-fluoro-2-methylphenyl)-6-phenylmethoxy-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 23440826
N-[4-[[2-(4-fluorophenyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-piperidin-2-ylacetamide
CID 69327828
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
1-[(4-bromophenyl)methyl]-2-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-isoquinoline
CID 22960528

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (CID 23440862) is 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1cccc(OC(C)C2CCCCN2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CXJYICBIDLVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O2/c1-21(29-8-3-4-16-32-29)35-27-7-5-6-22(18-27)19-30-28-14-13-26(34-2)20-23(28)15-17-33(30)25-11-9-24(31)10-12-25/h5-7,9-14,18,20-21,29-30,32H,3-4,8,15-17,19H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 474.62 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-1-[[3-(1-piperidin-2-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23440862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).