1-Cbz-4-cyanopiperidine - CAS 161609-84-3

Catalog:	BB011763
Product Name:	1-Cbz-4-cyanopiperidine
CAS:	161609-84-3
Synonyms:	4-cyano-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-cyanopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 4-cyanopiperidine-1-carboxylate
Description:	1-Cbz-4-cyanopiperidine (CAS# 161609-84-3) is a useful research chemical.
Molecular Weight:	244.29
Molecular Formula:	C14H16N2O2
Canonical SMILES:	C1CN(CCC1C#N)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H16N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
InChI Key:	UGKXZMBTBFELAS-UHFFFAOYSA-N
Boiling Point:	416.5 °C at 760 mmHg
Density:	1.18 g/cm³
MDL:	MFCD04115340
LogP:	2.49668

Publication Number	Title	Priority Date
WO-2021043077-A1	Substituted pyrazine compound and preparation method therefor and use thereof	20190906
WO-2018229139-A1	Novel compounds for use in cancer	20170614
US-2016304548-A1	Derivatives of Amphotericin B	20150415
US-9957290-B2	Derivatives of amphotericin B	20150415
WO-2016168568-A1	Derivatives of amphotericin b	20150415

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.121177757
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.121177757
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8