CAS 864068-79-1 Tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (HCID 7164573)

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Basic information

CAS: 864068-79-1
Standard SMILES: CC(C)(C)OC(=O)N1CCC(c2nc(CO)cs2)CC1
InChIKey: RDZWXODJIWMJPE-UHFFFAOYSA-N
Molecular formula: C14H22N2O3S
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.13511374

Names & identifiers

Preferred name: Tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
IUPAC: tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
English name: TERT-BUTYL 4-[4-(HYDROXYMETHYL)-1,3-THIAZOL-2-YL]PIPERIDINE-1-CARBOXYLATE
Molecular formula: C14H22N2O3S
Molecular weight: 298.4

Names & synonyms

864068-79-1tert-Butyl 4-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxylatetert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate4-(4-Hydroxymethyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl esterMFCD07368657C14H22N2O3Stert-butyl 4-[4-(hydroxymethyl)thiazol-2-yl]piperidine-1-carboxylateSCHEMBL3144261DTXSID10428175RDZWXODJIWMJPE-UHFFFAOYSA-NAKOS024258374SB39138

Show more names

1-Piperidinecarboxylic acid, 4-[4-(hydroxymethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester

MS-22256DB-010760CS-0326225F457114tert-Butyl4-(4-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxylate1-(1,1-dimethylethyl) 4-(4-hydroxymethyl-2-thiazolyl)-1-piperidine-carboxylate1-(1,1-dimethylethyl) 4-(4-hydroxymethyl-2-thiazolyl)-1-piperidinecarboxylate1-(1,1-dimethylethyl) 4-[4-(hydroxymethyl)-2-thiazolyl]-1-piperidinecarboxylate

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 90.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 338

Physicochemical properties

Melting point: 97 · 97-101℃
Boiling point: 439.5 · 439.5±40.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 13.19 · 13.19±0.10(Predicted)
CAS DataBase Reference: 864068 · 864068-79-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 22 · 22-26-36/37/39

Safety & regulation

Safety data

risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-26-36/37/39
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362