tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

HCID 49760902

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Basic information

CAS: 857898-70-5
Standard SMILES: CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCNCC2)C1
InChIKey: PYRPHEQXDLNURT-UHFFFAOYSA-N
Molecular formula: C18H26N2O2
Average molar mass: 302.4 g/mol
Monoisotopic mass: 302.19942808

Names & identifiers

Preferred name: tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
IUPAC: tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
English name: tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
Molecular formula: C18H26N2O2
Molecular weight: 302.41

Names & synonyms

857898-70-5tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylatetert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylateMFCD09959723tert-butyl 2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-2-carboxylatetert-butyl spiro[1,3-dihydroisoquinoline-4,4-piperidine]-2-carboxylateSCHEMBL652952DTXSID10678294PYRPHEQXDLNURT-UHFFFAOYSA-NAKOS015900714PB25255AS-50688

Show more names

2-Boc-2,3-dihydro-1H-spiro[isoquinoline-4,4’-piperidinetert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate - [B15455]Spiro[isoquinoline-4(1H),4'-piperidine]-2(3H)-carboxylic acid tert-butyl esterSpiro[isoquinoline-4(1H),4'-piperidine]-2(3H)-carboxylic acid, 1,1-dimethylethyl ester

SY046819DB-076444CS-0048452P10874EN300-3442705t-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate2-Boc-2,3-dihydro-1H-spiro[isoquinoline-4,4 inverted exclamation mark -piperidine]

Database identifiers

CAS: 857898-70-5
PubChem CID: 49760902
DTXSID: DTXSID10678294

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 410

Physicochemical properties

Boiling point: 428 ℃ · 428℃
Density: 1.13 · 1.13
Flash point: 213 ℃ · 213℃
storage temp.: 2 · 2-8°C
Appearance: white solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 29334900 · 29334900

Safety & regulation

Safety data

hs_code: 29334900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313