4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

C23H27N3 — CID 141465278

IUPAC4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CC(c2cc3ccccc3[nH]2)c2ccccc2C1N1CCCCC1
InChIInChI=1S/C23H27N3/c1-25-16-20(22-15-17-9-3-6-12-21(17)24-22)18-10-4-5-11-19(18)23(25)26-13-7-2-8-14-26/h3-6,9-12,15,20,23-24H,2,7-8,13-14,16H2,1H3
InChIKeyRYBHLJDVPVKBDM-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.73
Rot. Bonds2

About 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 141465278) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
PubChem CID141465278
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CC(c2cc3ccccc3[nH]2)c2ccccc2C1N1CCCCC1
InChIInChI=1S/C23H27N3/c1-25-16-20(22-15-17-9-3-6-12-21(17)24-22)18-10-4-5-11-19(18)23(25)26-13-7-2-8-14-26/h3-6,9-12,15,20,23-24H,2,7-8,13-14,16H2,1H3
InChIKeyRYBHLJDVPVKBDM-UHFFFAOYSA-N
XLogP4.73
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
5-(2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)-1,3-benzothiazole
CID 68996150
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
1-ethyl-3-(1H-indol-2-yl)azepan-2-one
CID 152739871
2-cyclohexyl-1H-indole
CID 607977
4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68995959
(4R)-4-(1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129383682
2-(oxetan-3-yl)-1H-indole
CID 151869222
7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68996385
2-(oxiran-2-yl)-1H-indole
CID 19919203
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (CID 141465278) is 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is CN1CC(c2cc3ccccc3[nH]2)c2ccccc2C1N1CCCCC1.
What is the InChIKey of 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RYBHLJDVPVKBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-25-16-20(22-15-17-9-3-6-12-21(17)24-22)18-10-4-5-11-19(18)23(25)26-13-7-2-8-14-26/h3-6,9-12,15,20,23-24H,2,7-8,13-14,16H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 345.49 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141465278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).