Methyl pipecolinate hydrochloride - CAS 32559-18-5

Catalog:	BB021332
Product Name:	Methyl pipecolinate hydrochloride
CAS:	32559-18-5
Synonyms:	methyl piperidine-2-carboxylate;hydrochloride

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Computed Properties

IUPAC Name:	methyl piperidine-2-carboxylate;hydrochloride
Description:	Methyl pipecolinate hydrochloride (CAS# 32559-18-5) is a reactant for synthesis of a pipecolic linker and antiviral agents.
Molecular Weight:	179.64
Molecular Formula:	C7H13NO2 · HCl
Canonical SMILES:	COC(=O)C1CCCCN1.Cl
InChI:	InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-2-3-5-8-6;/h6,8H,2-5H2,1H3;1H
InChI Key:	APCHKWZTSCBBJX-UHFFFAOYSA-N
Boiling Point:	235.3 °C at 760 mmHg
Melting Point:	205 °C (dec.)(lit.)
Purity:	95 %
MDL:	MFCD00192316
LogP:	1.43230

Publication Number	Title	Priority Date
CN-113461668-A	Novel biphenyl derivative, preparation method and medical application thereof	20210430
CN-112299938-A	Method for preparing amine compound by reducing amide compound	20201112
WO-2021043116-A1	Biphenyl compounds, preparation method therefor and medical use thereof	20190902
WO-2019152678-A1	Spiro-lactam nmda receptor modulators and uses thereof	20180131
AU-2019215049-A1	Spiro-lactam NMDA receptor modulators and uses thereof	20180131

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Related Functional Groups

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[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[758720-54-6]
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[1005629-22-0]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0713064
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.0713064
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0