4-(4-Piperidinyl)pyrimidine - CAS 954220-47-4

Catalog:	BB041708
Product Name:	4-(4-Piperidinyl)pyrimidine
CAS:	954220-47-4
Synonyms:	4-(4-piperidinyl)pyrimidine; 4-piperidin-4-ylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-piperidin-4-ylpyrimidine
Description:	4-(4-Piperidinyl)pyrimidine (CAS# 954220-47-4) is a useful research chemical.
Molecular Weight:	163.22
Molecular Formula:	C9H13N3
Canonical SMILES:	C1CNCCC1C2=NC=NC=C2
InChI:	InChI=1S/C9H13N3/c1-4-10-5-2-8(1)9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2
InChI Key:	NXWUMAKDYWLFIS-UHFFFAOYSA-N
Boiling Point:	294.3 °C at 760 mmHg
Density:	1.065 g/cm³
LogP:	1.27240

Publication Number	Title	Priority Date
WO-2018203691-A1	Pyrimidine derivative compound, optical isomer thereof, or pharmaceutically acceptable salt thereof, and composition for preventing or treating tyro 3 related disease comprising same as active ingredient	20170502
CN-107849017-A	The hydroxyl of 1,1,1 trifluoro 3 the third 2 aminocarbamic acid ester derivant and the aminocarbamic acid ester derivant of 1,1,1 trifluoro, 4 hydroxyl fourth 2 as MAGL inhibitor	20150731
WO-2016077375-A1	Bromodomain inhibitors and uses thereof	20141110
EP-2864331-A1	Positive allosteric modulators of mglur2	20120621
EP-2864331-B1	Positive allosteric modulators of mglur2	20120621

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Related Functional Groups

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.110947427
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.110947427
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3