3-(4-Piperidyl)-1-propanol - CAS 7037-49-2

Catalog:	BB034141
Product Name:	3-(4-Piperidyl)-1-propanol
CAS:	7037-49-2
Synonyms:	3-(4-piperidinyl)-1-propanol; 3-piperidin-4-ylpropan-1-ol

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Computed Properties

IUPAC Name:	3-piperidin-4-ylpropan-1-ol
Description:	3-(4-Piperidyl)-1-propanol (CAS# 7037-49-2) is used in the synthesis of G-protein coupled receptor (GPR119) agonists based on a bicyclic amine scaffold. Also used in the synthesis and antimicrobial activities of novel quinoline derivatives.
Molecular Weight:	143.23
Molecular Formula:	C8H17NO
Canonical SMILES:	C1CNCCC1CCCO
InChI:	InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2
InChI Key:	DBIMLJDSPUCGGY-UHFFFAOYSA-N
Boiling Point:	235.5 °C at 760 mmHg
Density:	0.929 g/cm³
MDL:	MFCD02178380
LogP:	1.08730

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021083949-A1	Bifunctional compounds for the treatment of cancer	20191029
WO-2021071837-A1	Gpr119 agonists	20191007
WO-2021047572-A1	GSK-3Î²/CHE DOUBLE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20190910
WO-2021043190-A1	Isoxazolo[5,4-h]quinazoline compounds as protein kinase inhibitors	20190905

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.131014166
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6