1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride

C20H29ClN2O2 — CID 134152436

IUPAC1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCCN2CCc3ccccc3C2)C(=O)C1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-20(2)13-18(23)22(19(24)14-20)11-6-5-10-21-12-9-16-7-3-4-8-17(16)15-21;/h3-4,7-8H,5-6,9-15H2,1-2H3;1H
InChIKeyZDZHPTHTTJAZOT-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.42
Rot. Bonds5

About 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride

1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride (PubChem CID 134152436) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
PubChem CID134152436
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCCN2CCc3ccccc3C2)C(=O)C1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-20(2)13-18(23)22(19(24)14-20)11-6-5-10-21-12-9-16-7-3-4-8-17(16)15-21;/h3-4,7-8H,5-6,9-15H2,1-2H3;1H
InChIKeyZDZHPTHTTJAZOT-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride with MolForge

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Related Compounds

2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-one
CID 11286623
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5m
CID 24776398
1-Benzyl-4-methyl-3-propylpiperidine-2,6-dione
CID 3708751
1-Benzyl-4,4-dimethylpiperidine-2,6-dione
CID 4417522
2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline-1,3(2H,4H)-dione
CID 10044206
2-[(1-Phenylmethyl-4-piperidyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 14405661
1-[4-(1,3-Dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
CID 134133064
2-{[1-(Methylsulfonyl)piperidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3237153
2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,2-dihydroisoquinolin-3(4H)-one
CID 10066364
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000
8-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 10428236

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The IUPAC name of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride (CID 134152436) is 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The canonical SMILES for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride is CC1(C)CC(=O)N(CCCCN2CCc3ccccc3C2)C(=O)C1.Cl.
What is the InChIKey of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The InChIKey is ZDZHPTHTTJAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-20(2)13-18(23)22(19(24)14-20)11-6-5-10-21-12-9-16-7-3-4-8-17(16)15-21;/h3-4,7-8H,5-6,9-15H2,1-2H3;1H.
What are the key properties of 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 134152436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).