Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride - CAS 3939-01-3
Catalog:
BB023960
Product Name:
Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
CAS:
3939-01-3
Synonyms:
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
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BB023960
500 g
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IUPAC Name: methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
Description: Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS# 3939-01-3) is a useful research chemical.
Molecular Weight: 283.75
Molecular Formula: C14H17NO3 · HCl
Canonical SMILES: COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl
InChI: InChI=1S/C14H17NO3.ClH/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H
InChI Key: BRADBAOVPACOQQ-UHFFFAOYSA-N
Boiling Point: 366 °C at 760 mmHg
Melting Point: 185 °C (dec.)
Appearance: White to pink powder
MDL: MFCD00012799
LogP: 1.99050
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word: Warning
Publication Number Title Priority Date
WO-2019200120-A1 Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions 20180411
US-2021139484-A1 Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions 20180411
AU-2018360752-A1 Imipridones for gliomas 20171103
WO-2019090222-A1 Imipridones for gliomas 20171103
BR-112020008791-A2 imipridones for gliomas 20171103
Complexity: 310
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 283.0975211
Formal Charge: 0
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 283.0975211
Rotatable Bond Count: 4
Topological Polar Surface Area: 46.6 Å2
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
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