tert-Butyl (E)-4-(3-(Dimethylamino)acryloyl)piperidine-1-carboxylate - CAS 1799799-87-3

Catalog:	BB071018
Product Name:	tert-Butyl (E)-4-(3-(Dimethylamino)acryloyl)piperidine-1-carboxylate
CAS:	1799799-87-3
Synonyms:	tert-butyl 4-[(2E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate; TERT-BUTYL 4-[(2E)-3-(DIMETHYLAMINO)PROP-2-ENOYL]-PIPERIDINE-1-CARBOXYLATE; tert-Butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate; tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate; 1-PIPERIDINECARBOXYLIC ACID, 4-[(2E)-3-(DIMETHYLAMINO)-1-OXO-2-PROPENYL]-, 1,1-DIMETHYLETHYL ESTER

Technical Data

IUPAC Name:	tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
Molecular Weight:	282.38
Molecular Formula:	C15H26N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C=CN(C)C
InChI:	InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+
InChI Key:	NWAKHTZENIYBGL-CMDGGOBGSA-N
References:	Butler, C., et al. J. Med. Chem., 60, 9860 (2017).

Complexity:	375
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	282.1943427
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.1943427
Rotatable Bond Count:	5
Topological Polar Surface Area:	49.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7