1-N-Boc-4-Piperidinecarboxylic acid methyl ester

HCID 392870
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
124443-68-1
Standard SMILES
COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
PTZNCCIULVXFIJ-UHFFFAOYSA-N
Molecular formula
C12H21NO4
Average molar mass
243.3 g/mol
Monoisotopic mass
243.14705815

Names & identifiers

Preferred name
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
IUPAC
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
English name
N-Boc-Piperidine-4-carboxylic acid methyl ester
Molecular formula
C12H21NO4
Molecular weight
243.3

Names & synonyms

1-N-Boc-4-piperidinecarboxylic acid methyl ester1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylateRefChem:434711672-394-8124443-68-1N-Boc-piperidine-4-carboxylic acid methyl ester1-tert-butyl 4-methyl piperidine-1,4-dicarboxylateMFCD021835841,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-methyl esterMethyl N-Boc-4-piperidinecarboxylatemethyl n-boc-piperidine-4-carboxylateNSC693923
Show more names
tert-Butyl methyl piperidine-1,4-dicarboxylateic acid methyLN-Boc-4-MethylpiperidineN-boc-4-methylpiperidinateN-Boc-Piperidine-4-carboxyLN-Boc- Piperidine-4-carboxylateMethyl-boc-piperidine-4-carboxylateN-Boc-Isonipecotic acid methyl esterN-BOC-4-METHYL PIPERIDINECARBOXYLATE
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylateO1-tert-butyl O4-methyl piperidine-1,4-dicarboxylateSY0022841-(tert-Butoxycarbonyl)-4-piperidinecarboxylic Acid Methyl Ester1-Boc-4-piperidinecarboxylic Acid Methyl EsterMethyl 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylatePiperidine-1,4-dicarboxylic Acid 1-tert-Butyl 4-Methyl1-(tert-butyl) 4-methyl tetrahydro-1,4(2h)-pyridinedicarboxylate

Database identifiers

CAS
124443-68-1
PubChem CID
392870
DTXSID
DTXSID20327847
ChEMBL
CHEMBL2003081
EC Number
672-394-8
Nikkaji
J1.530.224K

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
33 to · 33.0 to 37.0 °C
Boiling point
307.4 · 307.4±35.0 °C(Predicted)
Density
1.094 · 1.094±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
soluble in Methanol
form
powder to lump

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33136
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

UsesMethyl (1-BOC-piperidin-4-yl)carboxylate can be used as orexin type-2 receptor agonist.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

78 records
New reaction record

Compound notes

Loading…