4-Piperidinopiperidine-1-carbonyl chloride - CAS 103816-19-9

Catalog:	BB001226
Product Name:	4-Piperidinopiperidine-1-carbonyl chloride
CAS:	103816-19-9
Synonyms:	4-piperidin-1-ylpiperidine-1-carbonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-piperidin-1-ylpiperidine-1-carbonyl chloride
Description:	4-Piperidinopiperidine-1-carbonyl chloride (CAS# 103816-19-9) is used as a reagent in the synthesis of Irinotecan Hydrochloride Trihydrate (I767500); a DNA topoisomerase inhibitor.
Molecular Weight:	230.73
Molecular Formula:	C11H19ClN2O
Canonical SMILES:	C1CCN(CC1)C2CCN(CC2)C(=O)Cl
InChI:	InChI=1S/C11H19ClN2O/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13/h10H,1-9H2
InChI Key:	YDNSNQRKIINKPV-UHFFFAOYSA-N
Purity:	95 %
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.17130

Publication Number	Title	Priority Date
CN-113121554-A	Synthetic method of irinotecan hydrochloride	20210520
WO-2021172359-A1	Cdk9 inhibitor prodrug and liposome including the same	20200225
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2021100029-A2	Prodrugs of fulvestrant	20191124
WO-2020242253-A1	Novel empagliflozin derivative which is sglt-2 inhibitor	20190530

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Related Functional Groups

Piperidines

[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[869951-27-9]
Ethyl 1-(ethylsulfonyl)piperidine-3-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.1185909
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.1185909
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2