2,3-Dimethylpiperidine - CAS 5347-68-2

Catalog:	BB028241
Product Name:	2,3-Dimethylpiperidine
CAS:	5347-68-2
Synonyms:	2,3-dimethylpiperidine; 2,3-dimethylpiperidine

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Computed Properties

IUPAC Name:	2,3-dimethylpiperidine
Description:	2,3-Dimethylpiperidine (CAS# 5347-68-2) is involved in the synthesis of novel 3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid amide compounds.
Molecular Weight:	113.20
Molecular Formula:	C7H15N
Canonical SMILES:	CC1CCCNC1C
InChI:	InChI=1S/C7H15N/c1-6-4-3-5-8-7(6)2/h6-8H,3-5H2,1-2H3
InChI Key:	DRLFSUDDXLQHJT-UHFFFAOYSA-N
Boiling Point:	140.3 ℃ at 760 mmHg
Density:	0.794 g/cm³
MDL:	MFCD03425894
LogP:	1.72320

Publication Number	Title	Priority Date
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
CN-110183560-A	A method of middle-molecular-weihydroxyethyl polyisobutene is prepared using ferrotitanium composite catalyst	20190614
CN-110183560-B	Method for preparing medium molecular weight polyisobutylene by using iron-titanium composite catalyst	20190614
WO-2020161723-A1	Reversible liquid organic system, method and process for loading and discharging hydrogen based on n-heterocycles	20190206
KR-20210113677-A	Reversible liquid organic systems, methods and processes for the loading and unloading of hydrogen based on the N-heterocycle	20190206

PMID	Publication Date	Title	Journal
20936789	20101111	Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization	Journal of medicinal chemistry

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Related Functional Groups

Piperidines

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[1172760-90-5]
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[1006334-33-3]
Ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate
[1006320-24-6]
Ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate
[1006349-05-8]
Ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate
[1172352-99-6]
Ethyl 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	70.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.120449483
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.120449483
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5