(S)-1-Boc-3-(Aminomethyl)piperidine - CAS 140645-24-5

Name: (S)-1-Boc-3-(Aminomethyl)piperidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009094
Product Name:	(S)-1-Boc-3-(Aminomethyl)piperidine
CAS:	140645-24-5
Synonyms:	(3S)-3-(aminomethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
Description:	(S)-1-Boc-3-(Aminomethyl)piperidine (CAS# 140645-24-5) is an isoquinoline derivative used as SIK2 inhibitors.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CN
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChI Key:	WPWXYQIMXTUMJB-VIFPVBQESA-N
Boiling Point:	299.4 °C at 760 mmHg
Density:	1.023 g/cm³
Appearance:	Colorless liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD03839877
LogP:	2.23040

GHS Hazard Statement:	H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019243528-A1	Oga inhibitor compounds	20180620
EP-3810136-A1	Oga inhibitor compounds	20180620
CA-3066499-A1	Libraries of pyridine-containing macrocyclic compounds and methods of making and using the same	20170622
EP-3642399-A1	Libraries of pyridine-containing macrocyclic compounds and methods of making and using the same	20170622
US-2020190083-A1	Libraries of pyridine-containing macrocyclic compounds and methods of making and using the same	20170622

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9