1-Cbz-4-Piperidinecarboxaldehyde - CAS 138163-08-3

Name: 1-Cbz-4-Piperidinecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008721
Product Name:	1-Cbz-4-Piperidinecarboxaldehyde
CAS:	138163-08-3
Synonyms:	4-formyl-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-formylpiperidine-1-carboxylate

Technical Data

IUPAC Name:	benzyl 4-formylpiperidine-1-carboxylate
Description:	1-Cbz-4-Piperidinecarboxaldehyde (CAS# 138163-08-3) is a useful reagent for the preparation of pyrimidinyltetrahydropyridoindoles as estrogen receptor degrading PROTACs.
Molecular Weight:	247.29
Molecular Formula:	C14H17NO3
Canonical SMILES:	C1CN(CCC1C=O)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H17NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChI Key:	ZJQMLJFHCKTCSF-UHFFFAOYSA-N
Boiling Point:	384.5 °C at 760 mmHg
Density:	1.221 g/cm³
Appearance:	Viscous yellow liquid
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	2.17200

GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.12084340
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.12084340
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6