1-Acetyl-4-piperidinecarboxylic acid - CAS 25503-90-6

Catalog:	BB018933
Product Name:	1-Acetyl-4-piperidinecarboxylic acid
CAS:	25503-90-6
Synonyms:	1-acetylpiperidine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-acetylpiperidine-4-carboxylic acid
Description:	Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene. A synthetic intermediate in the preparation of CNS depressants.
Molecular Weight:	171.19
Molecular Formula:	C8H13NO3
Canonical SMILES:	CC(=O)N1CCC(CC1)C(=O)O
InChI:	InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChI Key:	WFCLWJHOKCQYOQ-UHFFFAOYSA-N
Boiling Point:	374 °C at 760 mmHg
Purity:	98.0%
Density:	1.213 g/cm³
MDL:	MFCD00023706
LogP:	0.26740

Publication Number	Title	Priority Date
CN-111004213-A	Organic electroluminescent compound and application thereof	20191226
CN-111004213-B	Organic electroluminescent compound and application thereof	20191226
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
WO-2021106947-A1	Novel quinone derivative and antitrypanosomal agent containing same as active ingredient	20191126
KR-20210059663-A	Novel benzimidazole derivatives and its use	20191115

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Related Functional Groups

Piperidines

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tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
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Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
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Ethyl 1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate

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GHS Hazard Statement:	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.08954328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.08954328
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3