2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

C25H28N2 — CID 68996731

IUPAC2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H28N2/c1-26-17-22-16-23(27-13-5-2-6-14-27)11-12-24(22)25(18-26)21-10-9-19-7-3-4-8-20(19)15-21/h3-4,7-12,15-16,25H,2,5-6,13-14,17-18H2,1H3
InChIKeyLHIZBXGJZDUAEG-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.41
Rot. Bonds2

About 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline

2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996731) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68996731
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(N3CCCCC3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C25H28N2/c1-26-17-22-16-23(27-13-5-2-6-14-27)11-12-24(22)25(18-26)21-10-9-19-7-3-4-8-20(19)15-21/h3-4,7-12,15-16,25H,2,5-6,13-14,17-18H2,1H3
InChIKeyLHIZBXGJZDUAEG-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 68995845
2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
CID 68995714
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68993738
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline (CID 68996731) is 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(N3CCCCC3)ccc2C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LHIZBXGJZDUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-26-17-22-16-23(27-13-5-2-6-14-27)11-12-24(22)25(18-26)21-10-9-19-7-3-4-8-20(19)15-21/h3-4,7-12,15-16,25H,2,5-6,13-14,17-18H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 356.51 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).