1-(1-Isobutyrylpiperidin-4-yl)methanamine - CAS 915919-75-4

Catalog:	BB040246
Product Name:	1-(1-Isobutyrylpiperidin-4-yl)methanamine
CAS:	915919-75-4
Synonyms:	1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
Description:	1-(1-Isobutyrylpiperidin-4-yl)methanamine (CAS# 915919-75-4) is a useful research chemical.
Molecular Weight:	184.28
Molecular Formula:	C10H20N2O
Canonical SMILES:	CC(C)C(=O)N1CCC(CC1)CN
InChI:	InChI=1S/C10H20N2O/c1-8(2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3
InChI Key:	PQGOVIYWZKKVET-UHFFFAOYSA-N
Boiling Point:	316.5 °C at 760 mmHg
Purity:	95 %
Density:	0.985 g/cm³
MDL:	MFCD08059855
LogP:	1.47790

Publication Number	Title	Priority Date
WO-2020238785-A1	Methyl- and trifluoromethyl-containing disubstituted sulfonamide selective bcl-2 inhibitor	20190524
WO-2020088442-A1	Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor	20181029
CN-112888687-A	Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors	20181029
EP-3858832-A1	Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor	20181029
KR-20210086680-A	Trifluoromethyl-substituted sulfonamides as BCL-2-selective inhibitors	20181029

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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
[362489-61-0]
(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.157563266
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.157563266
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6