(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone

C23H28N2O — CID 24901538

IUPAC(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)N1CCCCC1)CC2c1ccccc1
InChIInChI=1S/C23H28N2O/c1-17-11-12-20-21(18(17)2)15-25(23(26)24-13-7-4-8-14-24)16-22(20)19-9-5-3-6-10-19/h3,5-6,9-12,22H,4,7-8,13-16H2,1-2H3
InChIKeyKUGKOIMYNZUUIP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.86
Rot. Bonds1

About (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone

(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone (PubChem CID 24901538) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
PubChem CID24901538
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1C)CN(C(=O)N1CCCCC1)CC2c1ccccc1
InChIInChI=1S/C23H28N2O/c1-17-11-12-20-21(18(17)2)15-25(23(26)24-13-7-4-8-14-24)16-22(20)19-9-5-3-6-10-19/h3,5-6,9-12,22H,4,7-8,13-16H2,1-2H3
InChIKeyKUGKOIMYNZUUIP-UHFFFAOYSA-N
XLogP4.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 10220615
2,8-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 9794964
7-ethyl-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 9837869
2,7-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 10130931
2,7-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 10220613
2-[(1-Phenylmethyl-4-piperidyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 14405661
2,6-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 22386812
(1R)-N-tert-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536331
2-Ethyl-7,8-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 24901520
7,8-Dimethyl-4-phenyl-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 24901521
[3-(7,8-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]dimethylamine
CID 24901527
[4-(7,8-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]dimethylamine
CID 24901528

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone (CID 24901538) is (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone is Cc1ccc2c(c1C)CN(C(=O)N1CCCCC1)CC2c1ccccc1.
What is the InChIKey of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is KUGKOIMYNZUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-11-12-20-21(18(17)2)15-25(23(26)24-13-7-4-8-14-24)16-22(20)19-9-5-3-6-10-19/h3,5-6,9-12,22H,4,7-8,13-16H2,1-2H3.
What are the key properties of (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone?
(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 348.49 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 24901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).