ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate

C16H22N2O2 — CID 97411107

IUPACethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C16H22N2O2/c1-2-20-15(19)18-11-8-16(9-12-18)14-6-4-3-5-13(14)7-10-17-16/h3-6,17H,2,7-12H2,1H3
InChIKeyLBZNCBKGDKQVDZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.28
Rot. Bonds1

About ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate

ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate (PubChem CID 97411107) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
PubChem CID97411107
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C16H22N2O2/c1-2-20-15(19)18-11-8-16(9-12-18)14-6-4-3-5-13(14)7-10-17-16/h3-6,17H,2,7-12H2,1H3
InChIKeyLBZNCBKGDKQVDZ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
CID 121350888
2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone
CID 121350893
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
ethyl 4-(2-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)piperidine-1-carboxylate
CID 59047091
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
3-(2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethyl)aniline
CID 121359825
ethyl 4-hydroxy-4-[2-(3-hydroxypropyl)phenyl]piperidine-1-carboxylate
CID 69136867
ethyl 7-(2-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494890
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxylate
CID 3049465

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate (CID 97411107) is ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)NCCc1ccccc12.
What is the InChIKey of ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate?
The InChIKey is LBZNCBKGDKQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-15(19)18-11-8-16(9-12-18)14-6-4-3-5-13(14)7-10-17-16/h3-6,17H,2,7-12H2,1H3.
What are the key properties of ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate?
ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 97411107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).