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

C17H24N2O2 — CID 121350888

IUPACethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
SMILESCCOC(=O)CN1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C17H24N2O2/c1-2-21-16(20)13-19-11-8-17(9-12-19)15-6-4-3-5-14(15)7-10-18-17/h3-6,18H,2,7-13H2,1H3
InChIKeyJHLINMNTHOPGFA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.69
Rot. Bonds3

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

ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate (PubChem CID 121350888) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate.

Molecular Properties

Compound Nameethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
PubChem CID121350888
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
SMILESCCOC(=O)CN1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C17H24N2O2/c1-2-21-16(20)13-19-11-8-17(9-12-19)15-6-4-3-5-14(15)7-10-18-17/h3-6,18H,2,7-13H2,1H3
InChIKeyJHLINMNTHOPGFA-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate?
The IUPAC name of ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate (CID 121350888) is ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate.
What is the SMILES notation for ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate?
The canonical SMILES for ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate is CCOC(=O)CN1CCC2(CC1)NCCc1ccccc12.
What is the InChIKey of ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate?
The InChIKey is JHLINMNTHOPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-16(20)13-19-11-8-17(9-12-19)15-6-4-3-5-14(15)7-10-18-17/h3-6,18H,2,7-13H2,1H3.
What are the key properties of ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate?
ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate has a molecular weight of 288.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate is sourced from PubChem (CID 121350888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).